3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide

C17H26N2O3 — CID 113119864

IUPAC3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide
SMILESCCCCNC(=O)CCN(Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-4-5-11-18-17(21)10-12-19(14(2)20)13-15-6-8-16(22-3)9-7-15/h6-9H,4-5,10-13H2,1-3H3,(H,18,21)
InChIKeyLQZAVJZIZRJFGK-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.35
Rot. Bonds9

About 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide

3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide (PubChem CID 113119864) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide
PubChem CID113119864
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide
SMILESCCCCNC(=O)CCN(Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-4-5-11-18-17(21)10-12-19(14(2)20)13-15-6-8-16(22-3)9-7-15/h6-9H,4-5,10-13H2,1-3H3,(H,18,21)
InChIKeyLQZAVJZIZRJFGK-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide 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-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide
CID 113054996
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide
CID 113119927
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119947
3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113114987
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113119893
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethylphenyl)propanamide
CID 113119942
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113119958
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-butylpropanamide
CID 113121920
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113120193
3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113115841
N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144672

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide?
The IUPAC name of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide (CID 113119864) is 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide.
What is the SMILES notation for 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide?
The canonical SMILES for 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide is CCCCNC(=O)CCN(Cc1ccc(OC)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide?
The InChIKey is LQZAVJZIZRJFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-5-11-18-17(21)10-12-19(14(2)20)13-15-6-8-16(22-3)9-7-15/h6-9H,4-5,10-13H2,1-3H3,(H,18,21).
What are the key properties of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide?
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide is sourced from PubChem (CID 113119864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).