4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate

C103H124N12O24 — CID 159751491

IUPAC4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate
SMILESC=CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)CN)c(OC(C)C)c3)c(OC(C)CC)c2)c(OC(C)C)c1.C=CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)CN)c(OC(C)C)c3)c(OCC(C)C)c2)c(OC(C)C)c1.CCC(C)Oc1cc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3OC(C)C)cc2OC(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/2C36H44N4O8.C31H36N4O8/c1-8-15-45-36(44)26-11-14-29(32(18-26)48-23(6)7)40-34(42)24-9-12-27(30(16-24)46-20-21(2)3)39-35(43)25-10-13-28(38-33(41)19-37)31(17-25)47-22(4)5;1-8-16-45-36(44)26-12-15-28(31(19-26)47-22(5)6)39-35(43)25-11-14-29(32(18-25)48-23(7)9-2)40-34(42)24-10-13-27(38-33(41)20-37)30(17-24)46-21(3)4;1-7-19(6)43-28-16-22(10-13-25(28)35(39)40)31(38)34-24-12-9-21(15-27(24)42-18(4)5)30(37)33-23-11-8-20(29(32)36)14-26(23)41-17(2)3/h8-14,16-18,21-23H,1,15,19-20,37H2,2-7H3,(H,38,41)(H,39,43)(H,40,42);8,10-15,17-19,21-23H,1,9,16,20,37H2,2-7H3,(H,38,41)(H,39,43)(H,40,42);8-19H,7H2,1-6H3,(H2,32,36)(H,33,37)(H,34,38)
InChIKeyNDRZBVSGPFYKCP-UHFFFAOYSA-N
MW1914.18 g/mol
LogP18.17
Rot. Bonds45

About 4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate

4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate (PubChem CID 159751491) has the molecular formula C103H124N12O24 and a molecular weight of 1914.18 g/mol. Its IUPAC name is 4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate.

Molecular Properties

Compound Name4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate
PubChem CID159751491
Molecular FormulaC103H124N12O24
Molecular Weight1914.18 g/mol
Exact Mass1912.89
IUPAC Name4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate
SMILESC=CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)CN)c(OC(C)C)c3)c(OC(C)CC)c2)c(OC(C)C)c1.C=CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)CN)c(OC(C)C)c3)c(OCC(C)C)c2)c(OC(C)C)c1.CCC(C)Oc1cc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3OC(C)C)cc2OC(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/2C36H44N4O8.C31H36N4O8/c1-8-15-45-36(44)26-11-14-29(32(18-26)48-23(6)7)40-34(42)24-9-12-27(30(16-24)46-20-21(2)3)39-35(43)25-10-13-28(38-33(41)19-37)31(17-25)47-22(4)5;1-8-16-45-36(44)26-12-15-28(31(19-26)47-22(5)6)39-35(43)25-11-14-29(32(18-25)48-23(7)9-2)40-34(42)24-10-13-27(38-33(41)20-37)30(17-24)46-21(3)4;1-7-19(6)43-28-16-22(10-13-25(28)35(39)40)31(38)34-24-12-9-21(15-27(24)42-18(4)5)30(37)33-23-11-8-20(29(32)36)14-26(23)41-17(2)3/h8-14,16-18,21-23H,1,15,19-20,37H2,2-7H3,(H,38,41)(H,39,43)(H,40,42);8,10-15,17-19,21-23H,1,9,16,20,37H2,2-7H3,(H,38,41)(H,39,43)(H,40,42);8-19H,7H2,1-6H3,(H2,32,36)(H,33,37)(H,34,38)
InChIKeyNDRZBVSGPFYKCP-UHFFFAOYSA-N
XLogP18.17
TPSA506.74 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds45
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001914.18
LogP ≤ 518.17
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate with MolForge

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Related Compounds

4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide
CID 54755977
3-butoxy-4-[(3-butoxy-4-nitrobenzoyl)amino]benzamide;4-[[3-(2-methylpropoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide;3-(2-methylpropoxy)-4-[[4-[(4-nitro-3-propan-2-yloxybenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]benzamide
CID 159061267
methyl 3-butan-2-yloxy-4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]benzoate
CID 46853429
4-[4-[[4-carbamoyl-2-(2-methylpropoxy)phenyl]carbamoyl]-2-(2-methylpropoxy)anilino]-4-oxobutanoic acid
CID 54755618
3-[(2R)-butan-2-yl]oxy-4-nitrobenzoic acid
CID 94357881
4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide
CID 159019503
4-[[4-[4-[(2-butan-2-yloxy-4-carboxyphenyl)carbamoyl]-3-propan-2-yloxyphenyl]-2-(2-methylbutoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoic acid
CID 177268645
methyl 4-[[4-[[4-[[4-amino-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoate
CID 71747586
prop-2-enyl 4-(3-aminopropanoylamino)-3-methoxybenzoate
CID 82350189
4-nitro-3-propan-2-yloxy-N-prop-2-enylaniline
CID 83012928
methyl 3-(3-methoxy-2-methyl-3-oxopropoxy)-4-nitrobenzoate
CID 175143200
2-methylpropyl 4-[(4-methyl-3-nitrobenzoyl)amino]benzoate
CID 1184408

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate?
The IUPAC name of 4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate (CID 159751491) is 4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate.
What is the SMILES notation for 4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate?
The canonical SMILES for 4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate is C=CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)CN)c(OC(C)C)c3)c(OC(C)CC)c2)c(OC(C)C)c1.C=CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)CN)c(OC(C)C)c3)c(OCC(C)C)c2)c(OC(C)C)c1.CCC(C)Oc1cc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3OC(C)C)cc2OC(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of 4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate?
The InChIKey is NDRZBVSGPFYKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H44N4O8.C31H36N4O8/c1-8-15-45-36(44)26-11-14-29(32(18-26)48-23(6)7)40-34(42)24-9-12-27(30(16-24)46-20-21(2)3)39-35(43)25-10-13-28(38-33(41)19-37)31(17-25)47-22(4)5;1-8-16-45-36(44)26-12-15-28(31(19-26)47-22(5)6)39-35(43)25-11-14-29(32(18-25)48-23(7)9-2)40-34(42)24-10-13-27(38-33(41)20-37)30(17-24)46-21(3)4;1-7-19(6)43-28-16-22(10-13-25(28)35(39)40)31(38)34-24-12-9-21(15-27(24)42-18(4)5)30(37)33-23-11-8-20(29(32)36)14-26(23)41-17(2)3/h8-14,16-18,21-23H,1,15,19-20,37H2,2-7H3,(H,38,41)(H,39,43)(H,40,42);8,10-15,17-19,21-23H,1,9,16,20,37H2,2-7H3,(H,38,41)(H,39,43)(H,40,42);8-19H,7H2,1-6H3,(H2,32,36)(H,33,37)(H,34,38).
What are the key properties of 4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate?
4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate has a molecular weight of 1914.18 g/mol, XLogP of 18.17, 45 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-butan-2-yloxy-4-nitrobenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzamide;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-butan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate;prop-2-enyl 4-[[4-[[4-[(2-aminoacetyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-propan-2-yloxybenzoate is sourced from PubChem (CID 159751491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).