N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide

C18H21N3O3 — CID 109039685

IUPACN-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)20-15-3-5-16(6-4-15)21-18(23)11-12-19-14-7-9-17(24-2)10-8-14/h3-10,19H,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVCYCJJSGUOXOON-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.09
Rot. Bonds7

About N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide

N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide (PubChem CID 109039685) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
PubChem CID109039685
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)20-15-3-5-16(6-4-15)21-18(23)11-12-19-14-7-9-17(24-2)10-8-14/h3-10,19H,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVCYCJJSGUOXOON-UHFFFAOYSA-N
XLogP3.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide 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-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718
N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039721
3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039656
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide
CID 102095351
3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide
CID 167892845
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide (CID 109039685) is N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide is COc1ccc(NCCC(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide?
The InChIKey is VCYCJJSGUOXOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(22)20-15-3-5-16(6-4-15)21-18(23)11-12-19-14-7-9-17(24-2)10-8-14/h3-10,19H,11-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide?
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide has a molecular weight of 327.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide is sourced from PubChem (CID 109039685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).