2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide

C38H36ClNO3 — CID 42704911

About 2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide

2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide (PubChem CID 42704911) has the molecular formula C38H36ClNO3 and a molecular weight of 590.16 g/mol. Its IUPAC name is 2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: 2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide
• PubChem CID: 42704911
• Molecular Formula: C38H36ClNO3
• Molecular Weight: 590.16 g/mol
• Exact Mass: 589.24
• IUPAC Name: 2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide
• SMILES: COc1cc(CN(CCC(c2ccccc2)c2ccccc2)C(=O)C(Cl)c2ccccc2)ccc1OCc1ccccc1
• InChI: InChI=1S/C38H36ClNO3/c1-42-36-26-30(22-23-35(36)43-28-29-14-6-2-7-15-29)27-40(38(41)37(39)33-20-12-5-13-21-33)25-24-34(31-16-8-3-9-17-31)32-18-10-4-11-19-32/h2-23,26,34,37H,24-25,27-28H2,1H3
• InChIKey: SWEAEYAHBOKBRZ-UHFFFAOYSA-N
• XLogP: 8.81
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.16
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide?

The IUPAC name of 2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide (CID 42704911) is 2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide.

What is the SMILES notation for 2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide?

The canonical SMILES for 2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide is COc1cc(CN(CCC(c2ccccc2)c2ccccc2)C(=O)C(Cl)c2ccccc2)ccc1OCc1ccccc1.

What is the InChIKey of 2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide?

The InChIKey is SWEAEYAHBOKBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36ClNO3/c1-42-36-26-30(22-23-35(36)43-28-29-14-6-2-7-15-29)27-40(38(41)37(39)33-20-12-5-13-21-33)25-24-34(31-16-8-3-9-17-31)32-18-10-4-11-19-32/h2-23,26,34,37H,24-25,27-28H2,1H3.

What are the key properties of 2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide?

2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide has a molecular weight of 590.16 g/mol, XLogP of 8.81, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(3,3-diphenylpropyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 42704911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).