N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide

C32H31FN2O4 — CID 43821085

IUPACN-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
SMILESCOc1ccc(NC(=O)C(c2cccc(F)c2)N(Cc2ccccc2C)C(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C32H31FN2O4/c1-22-10-7-8-13-25(22)21-35(30(36)18-23-11-5-4-6-12-23)31(24-14-9-15-26(33)19-24)32(37)34-28-17-16-27(38-2)20-29(28)39-3/h4-17,19-20,31H,18,21H2,1-3H3,(H,34,37)
InChIKeyWAEZZQCQUPCQDU-UHFFFAOYSA-N
MW526.61 g/mol
LogP6.10
Rot. Bonds10

About N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide

N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide (PubChem CID 43821085) has the molecular formula C32H31FN2O4 and a molecular weight of 526.61 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
PubChem CID43821085
Molecular FormulaC32H31FN2O4
Molecular Weight526.61 g/mol
Exact Mass526.23
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
SMILESCOc1ccc(NC(=O)C(c2cccc(F)c2)N(Cc2ccccc2C)C(=O)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C32H31FN2O4/c1-22-10-7-8-13-25(22)21-35(30(36)18-23-11-5-4-6-12-23)31(24-14-9-15-26(33)19-24)32(37)34-28-17-16-27(38-2)20-29(28)39-3/h4-17,19-20,31H,18,21H2,1-3H3,(H,34,37)
InChIKeyWAEZZQCQUPCQDU-UHFFFAOYSA-N
XLogP6.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.61
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]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-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43821069
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43821070
N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820935
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide
CID 43819769
3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea
CID 42696062
N-(2,4-dimethoxyphenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)acetamide
CID 43821870
2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 43819709
2-[benzyl-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 43821720
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
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 2689336

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide (CID 43821085) is N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide is COc1ccc(NC(=O)C(c2cccc(F)c2)N(Cc2ccccc2C)C(=O)Cc2ccccc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide?
The InChIKey is WAEZZQCQUPCQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN2O4/c1-22-10-7-8-13-25(22)21-35(30(36)18-23-11-5-4-6-12-23)31(24-14-9-15-26(33)19-24)32(37)34-28-17-16-27(38-2)20-29(28)39-3/h4-17,19-20,31H,18,21H2,1-3H3,(H,34,37).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide?
N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide has a molecular weight of 526.61 g/mol, XLogP of 6.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide is sourced from PubChem (CID 43821085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).