2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid

C145H171N15O18 — CID 157457396

About 2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid

2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid (PubChem CID 157457396) has the molecular formula C145H171N15O18 and a molecular weight of 2412.05 g/mol. Its IUPAC name is 2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

• Compound Name: 2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid
• PubChem CID: 157457396
• Molecular Formula: C145H171N15O18
• Molecular Weight: 2412.05 g/mol
• Exact Mass: 2410.29
• IUPAC Name: 2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid
• SMILES: CCCCCCCCC(C(=O)NC1CCCCC1)N1C(=O)c2ccccc2NC(=O)C1C.COc1ccc(C(C(=O)O)N(CCc2cnc[nH]2)C(=O)Cc2ccc(Oc3ccccc3)cc2)cc1.NC(=O)CCC1C(=O)Nc2ccccc2C(=O)N1C(CCc1ccccc1)C(=O)NC1CCCCC1.O=C(O)C(CCc1ccccc1)N(CCCN1CCCC1)C(=O)C(c1ccccc1)c1ccccc1.O=C1Nc2ccccc2C(=O)N(C(CCc2ccccc2)C(=O)NC2CCCCC2)C1Cc1ccccc1
• InChI: InChI=1S/C32H35N3O3.C31H36N2O3.C28H34N4O4.C28H27N3O5.C26H39N3O3/c36-30(33-25-16-8-3-9-17-25)28(21-20-23-12-4-1-5-13-23)35-29(22-24-14-6-2-7-15-24)31(37)34-27-19-11-10-18-26(27)32(35)38;34-30(29(26-15-6-2-7-16-26)27-17-8-3-9-18-27)33(24-12-23-32-21-10-11-22-32)28(31(35)36)20-19-25-13-4-1-5-14-25;29-25(33)18-17-24-27(35)31-22-14-8-7-13-21(22)28(36)32(24)23(16-15-19-9-3-1-4-10-19)26(34)30-20-11-5-2-6-12-20;1-35-23-13-9-21(10-14-23)27(28(33)34)31(16-15-22-18-29-19-30-22)26(32)17-20-7-11-25(12-8-20)36-24-5-3-2-4-6-24;1-3-4-5-6-7-11-18-23(25(31)27-20-14-9-8-10-15-20)29-19(2)24(30)28-22-17-13-12-16-21(22)26(29)32/h1-2,4-7,10-15,18-19,25,28-29H,3,8-9,16-17,20-22H2,(H,33,36)(H,34,37);1-9,13-18,28-29H,10-12,19-24H2,(H,35,36);1,3-4,7-10,13-14,20,23-24H,2,5-6,11-12,15-18H2,(H2,29,33)(H,30,34)(H,31,35);2-14,18-19,27H,15-17H2,1H3,(H,29,30)(H,33,34);12-13,16-17,19-20,23H,3-11,14-15,18H2,1-2H3,(H,27,31)(H,28,30)
• InChIKey: BTNHFDQUEPJNKT-UHFFFAOYSA-N
• XLogP: 23.21
• TPSA: 444.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 50
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2412.05
LogP ≤ 5	23.21
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid?

The IUPAC name of 2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid (CID 157457396) is 2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid.

What is the SMILES notation for 2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid?

The canonical SMILES for 2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid is CCCCCCCCC(C(=O)NC1CCCCC1)N1C(=O)c2ccccc2NC(=O)C1C.COc1ccc(C(C(=O)O)N(CCc2cnc[nH]2)C(=O)Cc2ccc(Oc3ccccc3)cc2)cc1.NC(=O)CCC1C(=O)Nc2ccccc2C(=O)N1C(CCc1ccccc1)C(=O)NC1CCCCC1.O=C(O)C(CCc1ccccc1)N(CCCN1CCCC1)C(=O)C(c1ccccc1)c1ccccc1.O=C1Nc2ccccc2C(=O)N(C(CCc2ccccc2)C(=O)NC2CCCCC2)C1Cc1ccccc1.

What is the InChIKey of 2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid?

The InChIKey is BTNHFDQUEPJNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3.C31H36N2O3.C28H34N4O4.C28H27N3O5.C26H39N3O3/c36-30(33-25-16-8-3-9-17-25)28(21-20-23-12-4-1-5-13-23)35-29(22-24-14-6-2-7-15-24)31(37)34-27-19-11-10-18-26(27)32(35)38;34-30(29(26-15-6-2-7-16-26)27-17-8-3-9-18-27)33(24-12-23-32-21-10-11-22-32)28(31(35)36)20-19-25-13-4-1-5-14-25;29-25(33)18-17-24-27(35)31-22-14-8-7-13-21(22)28(36)32(24)23(16-15-19-9-3-1-4-10-19)26(34)30-20-11-5-2-6-12-20;1-35-23-13-9-21(10-14-23)27(28(33)34)31(16-15-22-18-29-19-30-22)26(32)17-20-7-11-25(12-8-20)36-24-5-3-2-4-6-24;1-3-4-5-6-7-11-18-23(25(31)27-20-14-9-8-10-15-20)29-19(2)24(30)28-22-17-13-12-16-21(22)26(29)32/h1-2,4-7,10-15,18-19,25,28-29H,3,8-9,16-17,20-22H2,(H,33,36)(H,34,37);1-9,13-18,28-29H,10-12,19-24H2,(H,35,36);1,3-4,7-10,13-14,20,23-24H,2,5-6,11-12,15-18H2,(H2,29,33)(H,30,34)(H,31,35);2-14,18-19,27H,15-17H2,1H3,(H,29,30)(H,33,34);12-13,16-17,19-20,23H,3-11,14-15,18H2,1-2H3,(H,27,31)(H,28,30).

What are the key properties of 2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid?

2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid has a molecular weight of 2412.05 g/mol, XLogP of 23.21, 50 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-amino-3-oxopropyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-4-phenylbutanamide;2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-phenylbutanamide;N-cyclohexyl-2-(3-methyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)decanamide;2-[(2,2-diphenylacetyl)-(3-pyrrolidin-1-ylpropyl)amino]-4-phenylbutanoic acid;2-[2-(1H-imidazol-5-yl)ethyl-[2-(4-phenoxyphenyl)acetyl]amino]-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 157457396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).