2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide

C24H25N3O4 — CID 174759764

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)NNc3ccccc3C)cc2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-16-6-4-5-7-20(16)26-27-24(29)18-9-11-19(12-10-18)25-23(28)15-17-8-13-21(30-2)22(14-17)31-3/h4-14,26H,15H2,1-3H3,(H,25,28)(H,27,29)
InChIKeyFZUOGVZGVIMADW-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.95
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide (PubChem CID 174759764) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide
PubChem CID174759764
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)NNc3ccccc3C)cc2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-16-6-4-5-7-20(16)26-27-24(29)18-9-11-19(12-10-18)25-23(28)15-17-8-13-21(30-2)22(14-17)31-3/h4-14,26H,15H2,1-3H3,(H,25,28)(H,27,29)
InChIKeyFZUOGVZGVIMADW-UHFFFAOYSA-N
XLogP3.95
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide
CID 71656387
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 112986934
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985880
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide
CID 31967245
N-(2,5-dimethoxyphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119475
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 112998555

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide (CID 174759764) is 2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(C(=O)NNc3ccccc3C)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide?
The InChIKey is FZUOGVZGVIMADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-16-6-4-5-7-20(16)26-27-24(29)18-9-11-19(12-10-18)25-23(28)15-17-8-13-21(30-2)22(14-17)31-3/h4-14,26H,15H2,1-3H3,(H,25,28)(H,27,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide has a molecular weight of 419.48 g/mol, XLogP of 3.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[4-[(2-methylanilino)carbamoyl]phenyl]acetamide is sourced from PubChem (CID 174759764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).