2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide

C29H33ClN2O3 — CID 133237698

IUPAC2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C29H33ClN2O3/c1-22(2)35-19-9-18-31-29(34)28(25-12-7-4-8-13-25)32(21-24-14-16-26(30)17-15-24)27(33)20-23-10-5-3-6-11-23/h3-8,10-17,22,28H,9,18-21H2,1-2H3,(H,31,34)
InChIKeyYKAMKUFLTBAMRE-UHFFFAOYSA-N
MW493.05 g/mol
LogP5.58
Rot. Bonds12

About 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide

2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 133237698) has the molecular formula C29H33ClN2O3 and a molecular weight of 493.05 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID133237698
Molecular FormulaC29H33ClN2O3
Molecular Weight493.05 g/mol
Exact Mass492.22
IUPAC Name2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C29H33ClN2O3/c1-22(2)35-19-9-18-31-29(34)28(25-12-7-4-8-13-25)32(21-24-14-16-26(30)17-15-24)27(33)20-23-10-5-3-6-11-23/h3-8,10-17,22,28H,9,18-21H2,1-2H3,(H,31,34)
InChIKeyYKAMKUFLTBAMRE-UHFFFAOYSA-N
XLogP5.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.05
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-propan-2-yloxypropyl)propanamide
CID 133149478
N-[(4-chlorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
CID 133237730
2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238250
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
CID 133237738
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133237549
2-[benzyl-(2-phenylacetyl)amino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 133214125
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238582
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-methyl-2-phenylacetamide
CID 133237735
N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
CID 133238282
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237216
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133237193
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237763

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide (CID 133237698) is 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)C(c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is YKAMKUFLTBAMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN2O3/c1-22(2)35-19-9-18-31-29(34)28(25-12-7-4-8-13-25)32(21-24-14-16-26(30)17-15-24)27(33)20-23-10-5-3-6-11-23/h3-8,10-17,22,28H,9,18-21H2,1-2H3,(H,31,34).
What are the key properties of 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide?
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 493.05 g/mol, XLogP of 5.58, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 133237698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).