[3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate

C86H92Cl2N10O20 — CID 173164325

IUPAC[3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate
SMILESCC(C)OC(=O)Nc1ccccc1.CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c1ccccc1.CCOC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1.CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1.COC(=O)Nc1ccc(Cl)c(Cl)c1.COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C19H22N2O4.C17H18N2O4.2C16H16N2O4.C10H13NO2.C8H7Cl2NO2/c1-4-21(16-10-6-5-7-11-16)19(23)25-17-12-8-9-15(13-17)20-18(22)24-14(2)3;1-3-22-16(20)18-14-8-5-9-15(11-14)23-17(21)19-13-7-4-6-12(2)10-13;1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2;1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12;1-8(2)13-10(12)11-9-6-4-3-5-7-9;1-13-8(12)11-5-2-3-6(9)7(10)4-5/h5-14H,4H2,1-3H3,(H,20,22);4-11H,3H2,1-2H3,(H,18,20)(H,19,21);3-10H,1-2H3,(H,17,19)(H,18,20);3-11H,2H2,1H3,(H,17,20)(H,18,19);3-8H,1-2H3,(H,11,12);2-4H,1H3,(H,11,12)
InChIKeySDEXSPOXPWSHLE-UHFFFAOYSA-N
MW1656.64 g/mol
LogP22.31
Rot. Bonds19

About [3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate

[3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate (PubChem CID 173164325) has the molecular formula C86H92Cl2N10O20 and a molecular weight of 1656.64 g/mol. Its IUPAC name is [3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate.

Molecular Properties

Compound Name[3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate
PubChem CID173164325
Molecular FormulaC86H92Cl2N10O20
Molecular Weight1656.64 g/mol
Exact Mass1654.59
IUPAC Name[3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate
SMILESCC(C)OC(=O)Nc1ccccc1.CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c1ccccc1.CCOC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1.CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1.COC(=O)Nc1ccc(Cl)c(Cl)c1.COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C19H22N2O4.C17H18N2O4.2C16H16N2O4.C10H13NO2.C8H7Cl2NO2/c1-4-21(16-10-6-5-7-11-16)19(23)25-17-12-8-9-15(13-17)20-18(22)24-14(2)3;1-3-22-16(20)18-14-8-5-9-15(11-14)23-17(21)19-13-7-4-6-12(2)10-13;1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2;1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12;1-8(2)13-10(12)11-9-6-4-3-5-7-9;1-13-8(12)11-5-2-3-6(9)7(10)4-5/h5-14H,4H2,1-3H3,(H,20,22);4-11H,3H2,1-2H3,(H,18,20)(H,19,21);3-10H,1-2H3,(H,17,19)(H,18,20);3-11H,2H2,1H3,(H,17,20)(H,18,19);3-8H,1-2H3,(H,11,12);2-4H,1H3,(H,11,12)
InChIKeySDEXSPOXPWSHLE-UHFFFAOYSA-N
XLogP22.31
TPSA374.51 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001656.64
LogP ≤ 522.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate with MolForge

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Related Compounds

[3-(propan-2-yloxycarbonylamino)phenyl] N-(2-bromoethyl)-N-(4-methylphenyl)carbamate
CID 57260750
[3-(2-methylpropoxycarbonylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate
CID 154122641
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
CID 56690131
[3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate
CID 22756963
[3-(prop-2-ynoxycarbonylamino)phenyl] N-(2-methylpropyl)-N-phenylcarbamate
CID 154236371
N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate
CID 23210449
[3-(propan-2-yloxycarbonylamino)phenyl] N-benzyl-N-(2-chloroethyl)carbamate
CID 54062729
[3-(1-chloropropan-2-yloxycarbonylamino)phenyl] N,N-diethylcarbamate
CID 54450752
[3-(propan-2-yloxycarbonylamino)phenyl] N-[4-(3-methylphenyl)butyl]carbamate
CID 54205965
[3-(prop-2-ynoxycarbonylamino)phenyl] N-butyl-N-phenylcarbamate
CID 14372424
[3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 154118331
[3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate
CID 57037994

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate?
The IUPAC name of [3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate (CID 173164325) is [3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate.
What is the SMILES notation for [3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate?
The canonical SMILES for [3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate is CC(C)OC(=O)Nc1ccccc1.CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c1ccccc1.CCOC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1.CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1.COC(=O)Nc1ccc(Cl)c(Cl)c1.COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of [3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate?
The InChIKey is SDEXSPOXPWSHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.C17H18N2O4.2C16H16N2O4.C10H13NO2.C8H7Cl2NO2/c1-4-21(16-10-6-5-7-11-16)19(23)25-17-12-8-9-15(13-17)20-18(22)24-14(2)3;1-3-22-16(20)18-14-8-5-9-15(11-14)23-17(21)19-13-7-4-6-12(2)10-13;1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2;1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12;1-8(2)13-10(12)11-9-6-4-3-5-7-9;1-13-8(12)11-5-2-3-6(9)7(10)4-5/h5-14H,4H2,1-3H3,(H,20,22);4-11H,3H2,1-2H3,(H,18,20)(H,19,21);3-10H,1-2H3,(H,17,19)(H,18,20);3-11H,2H2,1H3,(H,17,20)(H,18,19);3-8H,1-2H3,(H,11,12);2-4H,1H3,(H,11,12).
What are the key properties of [3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate?
[3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate has a molecular weight of 1656.64 g/mol, XLogP of 22.31, 19 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate is sourced from PubChem (CID 173164325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).