N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide

C19H22N2O4 — CID 109040586

IUPACN-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2cccc(C(C)=O)c2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-13(22)14-5-4-6-16(11-14)21-19(23)9-10-20-15-7-8-17(24-2)18(12-15)25-3/h4-8,11-12,20H,9-10H2,1-3H3,(H,21,23)
InChIKeyTWCLEHQRAJFNJK-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.35
Rot. Bonds8

About N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide

N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide (PubChem CID 109040586) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide
PubChem CID109040586
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2cccc(C(C)=O)c2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-13(22)14-5-4-6-16(11-14)21-19(23)9-10-20-15-7-8-17(24-2)18(12-15)25-3/h4-8,11-12,20H,9-10H2,1-3H3,(H,21,23)
InChIKeyTWCLEHQRAJFNJK-UHFFFAOYSA-N
XLogP3.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009580
3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027780
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 47824671
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
N-(3-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109039288
3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide
CID 109040980
3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040577
N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181020
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47076752
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide (CID 109040586) is N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide is COc1ccc(NCCC(=O)Nc2cccc(C(C)=O)c2)cc1OC.
What is the InChIKey of N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide?
The InChIKey is TWCLEHQRAJFNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(22)14-5-4-6-16(11-14)21-19(23)9-10-20-15-7-8-17(24-2)18(12-15)25-3/h4-8,11-12,20H,9-10H2,1-3H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide?
N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide has a molecular weight of 342.40 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide is sourced from PubChem (CID 109040586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).