(2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide

C32H32FN3O3 — CID 2716521

IUPAC(2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc([C@@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C32H32FN3O3/c1-35(2)28-17-15-27(16-18-28)34-32(38)31(25-11-19-29(39-3)20-12-25)36(22-24-9-13-26(33)14-10-24)30(37)21-23-7-5-4-6-8-23/h4-20,31H,21-22H2,1-3H3,(H,34,38)/t31-/m0/s1
InChIKeyKVGKRUGAFLLENM-HKBQPEDESA-N
MW525.62 g/mol
LogP5.85
Rot. Bonds10

About (2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide

(2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide (PubChem CID 2716521) has the molecular formula C32H32FN3O3 and a molecular weight of 525.62 g/mol. Its IUPAC name is (2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name(2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide
PubChem CID2716521
Molecular FormulaC32H32FN3O3
Molecular Weight525.62 g/mol
Exact Mass525.24
IUPAC Name(2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc([C@@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C32H32FN3O3/c1-35(2)28-17-15-27(16-18-28)34-32(38)31(25-11-19-29(39-3)20-12-25)36(22-24-9-13-26(33)14-10-24)30(37)21-23-7-5-4-6-8-23/h4-20,31H,21-22H2,1-3H3,(H,34,38)/t31-/m0/s1
InChIKeyKVGKRUGAFLLENM-HKBQPEDESA-N
XLogP5.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.62
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)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

N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide
CID 43821033
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 43820811
N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820764
N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820935
2-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide
CID 43821000
2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132611051
2-(4-chlorophenyl)-N-(4-methoxyphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide
CID 43820847
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791
N-[4-(dimethylamino)phenyl]-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methoxyphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide
CID 43821645
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-(4-fluorophenyl)-N-(4-methoxyphenyl)acetamide
CID 4625190
2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 43821479
N-[4-(dimethylamino)phenyl]-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-fluorophenyl)methyl]amino]-2-(4-fluorophenyl)acetamide
CID 4181708

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of (2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide (CID 2716521) is (2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for (2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for (2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide is COc1ccc([C@@H](C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccc(F)cc2)C(=O)Cc2ccccc2)cc1.
What is the InChIKey of (2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is KVGKRUGAFLLENM-HKBQPEDESA-N. The full InChI is InChI=1S/C32H32FN3O3/c1-35(2)28-17-15-27(16-18-28)34-32(38)31(25-11-19-29(39-3)20-12-25)36(22-24-9-13-26(33)14-10-24)30(37)21-23-7-5-4-6-8-23/h4-20,31H,21-22H2,1-3H3,(H,34,38)/t31-/m0/s1.
What are the key properties of (2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide?
(2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 525.62 g/mol, XLogP of 5.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2716521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).