(2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate

C268H248N32O40 — CID 159620731

IUPAC(2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate
SMILESCC(C)(C)c1ccc(C(=O)Oc2ccc(N)cc2)cc1.CC(C)(C)c1ccc(C(=O)Oc2cccc(N)c2)cc1.Cc1cc(OC(=O)c2ccc(N)cc2)ccc1N.Cc1cc(OC(=O)c2cccc(N)c2)ccc1N.Cc1ccc(OC(=O)c2ccc(N)cc2)c(N)c1.Cc1ccc(OC(=O)c2cccc(N)c2)c(N)c1.Nc1ccc(C(=O)Oc2cccc(N)c2)cc1.Nc1ccc(C(=O)Oc2ccccc2N)cc1.Nc1ccc(OC(=O)c2cc(N)cc(N)c2)cc1.Nc1ccc(OC(=O)c2ccc(N)cc2)cc1.Nc1ccc(OC(=O)c2cccc(N)c2)cc1.Nc1ccc(OC(=O)c2ccccc2)cc1.Nc1cccc(C(=O)Oc2ccccc2N)c1.Nc1cccc(OC(=O)c2ccc3cc(C(=O)Oc4cccc(N)c4)ccc3c2)c1.Nc1cccc(OC(=O)c2cccc(N)c2)c1.Nc1cccc(OC(=O)c2ccccc2)c1.Nc1ccccc1OC(=O)c1ccc2cc(C(=O)Oc3ccccc3N)ccc2c1.Nc1ccccc1OC(=O)c1ccccc1
InChIInChI=1S/2C24H18N2O4.2C17H19NO2.4C14H14N2O2.C13H13N3O2.6C13H12N2O2.3C13H11NO2/c25-19-3-1-5-21(13-19)29-23(27)17-9-7-16-12-18(10-8-15(16)11-17)24(28)30-22-6-2-4-20(26)14-22;25-19-5-1-3-7-21(19)29-23(27)17-11-9-16-14-18(12-10-15(16)13-17)24(28)30-22-8-4-2-6-20(22)26;1-17(2,3)13-6-4-12(5-7-13)16(19)20-15-10-8-14(18)9-11-15;1-17(2,3)13-9-7-12(8-10-13)16(19)20-15-6-4-5-14(18)11-15;1-9-2-7-13(12(16)8-9)18-14(17)10-3-5-11(15)6-4-10;1-9-8-12(6-7-13(9)16)18-14(17)10-2-4-11(15)5-3-10;1-9-7-12(5-6-13(9)16)18-14(17)10-3-2-4-11(15)8-10;1-9-5-6-13(12(16)7-9)18-14(17)10-3-2-4-11(15)8-10;14-9-1-3-12(4-2-9)18-13(17)8-5-10(15)7-11(16)6-8;14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12;14-10-4-1-3-9(7-10)13(16)17-12-6-2-5-11(15)8-12;14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15;14-10-6-4-9(5-7-10)13(16)17-12-3-1-2-11(15)8-12;14-10-4-6-12(7-5-10)17-13(16)9-2-1-3-11(15)8-9;14-10-7-5-9(6-8-10)13(16)17-12-4-2-1-3-11(12)15;14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10;14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10;14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h2*1-14H,25-26H2;2*4-11H,18H2,1-3H3;4*2-8H,15-16H2,1H3;1-7H,14-16H2;6*1-8H,14-15H2;3*1-9H,14H2
InChIKeyMNVSCZXYECTVCV-UHFFFAOYSA-N
MW4557.12 g/mol
LogP47.51
Rot. Bonds40

About (2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate

(2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate (PubChem CID 159620731) has the molecular formula C268H248N32O40 and a molecular weight of 4557.12 g/mol. Its IUPAC name is (2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate.

Molecular Properties

Compound Name(2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate
PubChem CID159620731
Molecular FormulaC268H248N32O40
Molecular Weight4557.12 g/mol
Exact Mass4553.84
IUPAC Name(2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate
SMILESCC(C)(C)c1ccc(C(=O)Oc2ccc(N)cc2)cc1.CC(C)(C)c1ccc(C(=O)Oc2cccc(N)c2)cc1.Cc1cc(OC(=O)c2ccc(N)cc2)ccc1N.Cc1cc(OC(=O)c2cccc(N)c2)ccc1N.Cc1ccc(OC(=O)c2ccc(N)cc2)c(N)c1.Cc1ccc(OC(=O)c2cccc(N)c2)c(N)c1.Nc1ccc(C(=O)Oc2cccc(N)c2)cc1.Nc1ccc(C(=O)Oc2ccccc2N)cc1.Nc1ccc(OC(=O)c2cc(N)cc(N)c2)cc1.Nc1ccc(OC(=O)c2ccc(N)cc2)cc1.Nc1ccc(OC(=O)c2cccc(N)c2)cc1.Nc1ccc(OC(=O)c2ccccc2)cc1.Nc1cccc(C(=O)Oc2ccccc2N)c1.Nc1cccc(OC(=O)c2ccc3cc(C(=O)Oc4cccc(N)c4)ccc3c2)c1.Nc1cccc(OC(=O)c2cccc(N)c2)c1.Nc1cccc(OC(=O)c2ccccc2)c1.Nc1ccccc1OC(=O)c1ccc2cc(C(=O)Oc3ccccc3N)ccc2c1.Nc1ccccc1OC(=O)c1ccccc1
InChIInChI=1S/2C24H18N2O4.2C17H19NO2.4C14H14N2O2.C13H13N3O2.6C13H12N2O2.3C13H11NO2/c25-19-3-1-5-21(13-19)29-23(27)17-9-7-16-12-18(10-8-15(16)11-17)24(28)30-22-6-2-4-20(26)14-22;25-19-5-1-3-7-21(19)29-23(27)17-11-9-16-14-18(12-10-15(16)13-17)24(28)30-22-8-4-2-6-20(22)26;1-17(2,3)13-6-4-12(5-7-13)16(19)20-15-10-8-14(18)9-11-15;1-17(2,3)13-9-7-12(8-10-13)16(19)20-15-6-4-5-14(18)11-15;1-9-2-7-13(12(16)8-9)18-14(17)10-3-5-11(15)6-4-10;1-9-8-12(6-7-13(9)16)18-14(17)10-2-4-11(15)5-3-10;1-9-7-12(5-6-13(9)16)18-14(17)10-3-2-4-11(15)8-10;1-9-5-6-13(12(16)7-9)18-14(17)10-3-2-4-11(15)8-10;14-9-1-3-12(4-2-9)18-13(17)8-5-10(15)7-11(16)6-8;14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12;14-10-4-1-3-9(7-10)13(16)17-12-6-2-5-11(15)8-12;14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15;14-10-6-4-9(5-7-10)13(16)17-12-3-1-2-11(15)8-12;14-10-4-6-12(7-5-10)17-13(16)9-2-1-3-11(15)8-9;14-10-7-5-9(6-8-10)13(16)17-12-4-2-1-3-11(12)15;14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10;14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10;14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h2*1-14H,25-26H2;2*4-11H,18H2,1-3H3;4*2-8H,15-16H2,1H3;1-7H,14-16H2;6*1-8H,14-15H2;3*1-9H,14H2
InChIKeyMNVSCZXYECTVCV-UHFFFAOYSA-N
XLogP47.51
TPSA1358.64 Ų
H-Bond Donors32
H-Bond Acceptors72
Rotatable Bonds40
Heavy Atoms340
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004557.12
LogP ≤ 547.51
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1072

Analyze (2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate with MolForge

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Related Compounds

(4-aminophenyl) 8-[2-[8-(4-aminophenoxy)-8-oxooctyl]-4-hexyl-3-octylcyclohexyl]octanoate;(2-aminophenyl) 4-tert-butylbenzoate;(2-aminophenyl) 3,5-diaminobenzoate;(3-aminophenyl) 3,5-diaminobenzoate;bis(2,4-diaminophenyl) benzene-1,3-dicarboxylate;bis(2,4-diaminophenyl) 5-tert-butylbenzene-1,3-dicarboxylate;bis(2,4-diaminophenyl) cyclohexane-1,4-dicarboxylate;(2,4-diaminophenyl) 3,5-diaminobenzoate
CID 159221755
4-O-(2-aminophenyl) 1-O-(4-aminophenyl) benzene-1,4-dicarboxylate;3-O-(2-aminophenyl) 1-O-(4-methylphenyl) benzene-1,3-dicarboxylate;bis(4-aminophenyl) decanedioate
CID 157294515
(3-aminophenyl) naphthalene-2-carboxylate
CID 22761549
phenyl 4-tert-butylbenzoate
CID 733785
methyl 3-(4-tert-butylbenzoyl)oxybenzoate
CID 4981580
1-O-methyl 2-O-phenyl 3-(4-methoxybenzoyl)oxy-6-(3-methylbenzoyl)oxybenzene-1,2-dicarboxylate
CID 144750310
phenyl 3,4-diaminobenzoate
CID 22184045
[4-(4-amino-2-methylphenoxy)carbonyl-2-methylphenyl] 4-amino-3-methylbenzoate;(4-amino-2-methylphenyl) 4-[4-amino-2-(trifluoromethyl)benzoyl]oxy-3-methylbenzoate;[4-(4-aminophenoxy)carbonylphenyl] 4-aminobenzoate;[4-[4-amino-3-(trifluoromethyl)phenoxy]carbonyl-2-methylphenyl] 4-amino-3-methylbenzoate;[4-[4-amino-3-(trifluoromethyl)phenoxy]carbonyl-3-(trifluoromethyl)phenyl] 4-amino-3-methylbenzoate;[4-[4-amino-3-(trifluoromethyl)phenoxy]carbonyl-3-(trifluoromethyl)phenyl] 4-amino-2-(trifluoromethyl)benzoate;[4-amino-3-(trifluoromethyl)phenyl] 4-[4-amino-2-(trifluoromethyl)benzoyl]oxy-3-methylbenzoate
CID 159509063
[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl] benzoate;propan-2-one
CID 162200473
[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate
CID 19171847
diphenyl 5-aminobenzene-1,3-dicarboxylate
CID 67545316
[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate
CID 6612290

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate?
The IUPAC name of (2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate (CID 159620731) is (2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate.
What is the SMILES notation for (2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate?
The canonical SMILES for (2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate is CC(C)(C)c1ccc(C(=O)Oc2ccc(N)cc2)cc1.CC(C)(C)c1ccc(C(=O)Oc2cccc(N)c2)cc1.Cc1cc(OC(=O)c2ccc(N)cc2)ccc1N.Cc1cc(OC(=O)c2cccc(N)c2)ccc1N.Cc1ccc(OC(=O)c2ccc(N)cc2)c(N)c1.Cc1ccc(OC(=O)c2cccc(N)c2)c(N)c1.Nc1ccc(C(=O)Oc2cccc(N)c2)cc1.Nc1ccc(C(=O)Oc2ccccc2N)cc1.Nc1ccc(OC(=O)c2cc(N)cc(N)c2)cc1.Nc1ccc(OC(=O)c2ccc(N)cc2)cc1.Nc1ccc(OC(=O)c2cccc(N)c2)cc1.Nc1ccc(OC(=O)c2ccccc2)cc1.Nc1cccc(C(=O)Oc2ccccc2N)c1.Nc1cccc(OC(=O)c2ccc3cc(C(=O)Oc4cccc(N)c4)ccc3c2)c1.Nc1cccc(OC(=O)c2cccc(N)c2)c1.Nc1cccc(OC(=O)c2ccccc2)c1.Nc1ccccc1OC(=O)c1ccc2cc(C(=O)Oc3ccccc3N)ccc2c1.Nc1ccccc1OC(=O)c1ccccc1.
What is the InChIKey of (2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate?
The InChIKey is MNVSCZXYECTVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18N2O4.2C17H19NO2.4C14H14N2O2.C13H13N3O2.6C13H12N2O2.3C13H11NO2/c25-19-3-1-5-21(13-19)29-23(27)17-9-7-16-12-18(10-8-15(16)11-17)24(28)30-22-6-2-4-20(26)14-22;25-19-5-1-3-7-21(19)29-23(27)17-11-9-16-14-18(12-10-15(16)13-17)24(28)30-22-8-4-2-6-20(22)26;1-17(2,3)13-6-4-12(5-7-13)16(19)20-15-10-8-14(18)9-11-15;1-17(2,3)13-9-7-12(8-10-13)16(19)20-15-6-4-5-14(18)11-15;1-9-2-7-13(12(16)8-9)18-14(17)10-3-5-11(15)6-4-10;1-9-8-12(6-7-13(9)16)18-14(17)10-2-4-11(15)5-3-10;1-9-7-12(5-6-13(9)16)18-14(17)10-3-2-4-11(15)8-10;1-9-5-6-13(12(16)7-9)18-14(17)10-3-2-4-11(15)8-10;14-9-1-3-12(4-2-9)18-13(17)8-5-10(15)7-11(16)6-8;14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12;14-10-4-1-3-9(7-10)13(16)17-12-6-2-5-11(15)8-12;14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15;14-10-6-4-9(5-7-10)13(16)17-12-3-1-2-11(15)8-12;14-10-4-6-12(7-5-10)17-13(16)9-2-1-3-11(15)8-9;14-10-7-5-9(6-8-10)13(16)17-12-4-2-1-3-11(12)15;14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10;14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10;14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h2*1-14H,25-26H2;2*4-11H,18H2,1-3H3;4*2-8H,15-16H2,1H3;1-7H,14-16H2;6*1-8H,14-15H2;3*1-9H,14H2.
What are the key properties of (2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate?
(2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate has a molecular weight of 4557.12 g/mol, XLogP of 47.51, 40 rotatable bonds, 32 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methylphenyl) 3-aminobenzoate;(2-amino-4-methylphenyl) 4-aminobenzoate;(4-amino-3-methylphenyl) 3-aminobenzoate;(4-amino-3-methylphenyl) 4-aminobenzoate;(2-aminophenyl) 3-aminobenzoate;(2-aminophenyl) 4-aminobenzoate;(3-aminophenyl) 3-aminobenzoate;(3-aminophenyl) 4-aminobenzoate;(4-aminophenyl) 3-aminobenzoate;(4-aminophenyl) 4-aminobenzoate;(2-aminophenyl) benzoate;(3-aminophenyl) benzoate;(4-aminophenyl) benzoate;(3-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 4-tert-butylbenzoate;(4-aminophenyl) 3,5-diaminobenzoate;bis(2-aminophenyl) naphthalene-2,6-dicarboxylate;bis(3-aminophenyl) naphthalene-2,6-dicarboxylate is sourced from PubChem (CID 159620731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).