1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide

C37H47N5O7 — CID 59978694

About 1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide

1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 59978694) has the molecular formula C37H47N5O7 and a molecular weight of 673.81 g/mol. Its IUPAC name is 1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide
• PubChem CID: 59978694
• Molecular Formula: C37H47N5O7
• Molecular Weight: 673.81 g/mol
• Exact Mass: 673.35
• IUPAC Name: 1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide
• SMILES: CCCC(NC(=O)C1CN(Cc2ccccc2)C(=O)N1C(=O)C(C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(C)=O)c1ccccc1
• InChI: InChI=1S/C37H47N5O7/c1-4-14-29(33(45)35(47)38-21-31(44)40-32(25(3)43)28-19-12-7-13-20-28)39-34(46)30-23-41(22-26-15-8-5-9-16-26)37(49)42(30)36(48)24(2)27-17-10-6-11-18-27/h5,7-9,12-13,15-16,19-20,24,27,29-30,32H,4,6,10-11,14,17-18,21-23H2,1-3H3,(H,38,47)(H,39,46)(H,40,44)/t24?,29?,30?,32-/m1/s1
• InChIKey: OHQBKTYDNCQKPA-GYZXHSDXSA-N
• XLogP: 3.45
• TPSA: 162.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	673.81
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide?

The IUPAC name of 1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide (CID 59978694) is 1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide.

What is the SMILES notation for 1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide?

The canonical SMILES for 1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide is CCCC(NC(=O)C1CN(Cc2ccccc2)C(=O)N1C(=O)C(C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(C)=O)c1ccccc1.

What is the InChIKey of 1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide?

The InChIKey is OHQBKTYDNCQKPA-GYZXHSDXSA-N. The full InChI is InChI=1S/C37H47N5O7/c1-4-14-29(33(45)35(47)38-21-31(44)40-32(25(3)43)28-19-12-7-13-20-28)39-34(46)30-23-41(22-26-15-8-5-9-16-26)37(49)42(30)36(48)24(2)27-17-10-6-11-18-27/h5,7-9,12-13,15-16,19-20,24,27,29-30,32H,4,6,10-11,14,17-18,21-23H2,1-3H3,(H,38,47)(H,39,46)(H,40,44)/t24?,29?,30?,32-/m1/s1.

What are the key properties of 1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide?

1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 673.81 g/mol, XLogP of 3.45, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3-(2-cyclohexylpropanoyl)-N-[1,2-dioxo-1-[[2-oxo-2-[[(1S)-2-oxo-1-phenylpropyl]amino]ethyl]amino]hexan-3-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 59978694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).