N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide

C34H40N4O3 — CID 3190827

About N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide

N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide (PubChem CID 3190827) has the molecular formula C34H40N4O3 and a molecular weight of 552.72 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide
• PubChem CID: 3190827
• Molecular Formula: C34H40N4O3
• Molecular Weight: 552.72 g/mol
• Exact Mass: 552.31
• IUPAC Name: N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide
• SMILES: COc1ccccc1CN(C(=O)Cc1c[nH]c2ccccc12)C(C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1
• InChI: InChI=1S/C34H40N4O3/c1-37(2)28-19-17-24(18-20-28)33(34(40)36-27-12-5-4-6-13-27)38(23-25-11-7-10-16-31(25)41-3)32(39)21-26-22-35-30-15-9-8-14-29(26)30/h7-11,14-20,22,27,33,35H,4-6,12-13,21,23H2,1-3H3,(H,36,40)
• InChIKey: SLCOMVYUXPKNBW-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.72
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide?

The IUPAC name of N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide (CID 3190827) is N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide.

What is the SMILES notation for N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide?

The canonical SMILES for N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide is COc1ccccc1CN(C(=O)Cc1c[nH]c2ccccc12)C(C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1.

What is the InChIKey of N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide?

The InChIKey is SLCOMVYUXPKNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O3/c1-37(2)28-19-17-24(18-20-28)33(34(40)36-27-12-5-4-6-13-27)38(23-25-11-7-10-16-31(25)41-3)32(39)21-26-22-35-30-15-9-8-14-29(26)30/h7-11,14-20,22,27,33,35H,4-6,12-13,21,23H2,1-3H3,(H,36,40).

What are the key properties of N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide?

N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 552.72 g/mol, XLogP of 6.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 3190827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).