N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide

C33H35N3O3 — CID 43820935

IUPACN-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
SMILESCOc1cccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2C)C(=O)Cc2ccccc2)c1
InChIInChI=1S/C33H35N3O3/c1-24-11-8-9-14-27(24)23-36(31(37)21-25-12-6-5-7-13-25)32(26-15-10-16-30(22-26)39-4)33(38)34-28-17-19-29(20-18-28)35(2)3/h5-20,22,32H,21,23H2,1-4H3,(H,34,38)
InChIKeyGWIUUMUDNWRKAB-UHFFFAOYSA-N
MW521.66 g/mol
LogP6.02
Rot. Bonds10

About N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide

N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide (PubChem CID 43820935) has the molecular formula C33H35N3O3 and a molecular weight of 521.66 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
PubChem CID43820935
Molecular FormulaC33H35N3O3
Molecular Weight521.66 g/mol
Exact Mass521.27
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
SMILESCOc1cccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2C)C(=O)Cc2ccccc2)c1
InChIInChI=1S/C33H35N3O3/c1-24-11-8-9-14-27(24)23-36(31(37)21-25-12-6-5-7-13-25)32(26-15-10-16-30(22-26)39-4)33(38)34-28-17-19-29(20-18-28)35(2)3/h5-20,22,32H,21,23H2,1-4H3,(H,34,38)
InChIKeyGWIUUMUDNWRKAB-UHFFFAOYSA-N
XLogP6.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)phenyl]-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820938
(2S)-N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methoxyphenyl)acetamide
CID 2716521
N-[4-(dimethylamino)phenyl]-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(2-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)acetamide
CID 43821633
N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43821085
2-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide
CID 43821000
2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 43821427
N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820764
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 43820811
N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43821069
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 3460861
N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide
CID 43821033
N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-2-(3-fluorophenyl)acetamide
CID 43819590

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide (CID 43820935) is N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide is COc1cccc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2ccccc2C)C(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide?
The InChIKey is GWIUUMUDNWRKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O3/c1-24-11-8-9-14-27(24)23-36(31(37)21-25-12-6-5-7-13-25)32(26-15-10-16-30(22-26)39-4)33(38)34-28-17-19-29(20-18-28)35(2)3/h5-20,22,32H,21,23H2,1-4H3,(H,34,38).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide?
N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide has a molecular weight of 521.66 g/mol, XLogP of 6.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(3-methoxyphenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide is sourced from PubChem (CID 43820935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).