N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide

C21H27NO4 — CID 132653922

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide
SMILESCCC(NC(=O)CCCOc1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H27NO4/c1-4-18(16-12-13-19(24-2)20(15-16)25-3)22-21(23)11-8-14-26-17-9-6-5-7-10-17/h5-7,9-10,12-13,15,18H,4,8,11,14H2,1-3H3,(H,22,23)
InChIKeyHRTXFWZPJKCJJL-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.13
Rot. Bonds10

About N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide

N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide (PubChem CID 132653922) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide
PubChem CID132653922
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide
SMILESCCC(NC(=O)CCCOc1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H27NO4/c1-4-18(16-12-13-19(24-2)20(15-16)25-3)22-21(23)11-8-14-26-17-9-6-5-7-10-17/h5-7,9-10,12-13,15,18H,4,8,11,14H2,1-3H3,(H,22,23)
InChIKeyHRTXFWZPJKCJJL-UHFFFAOYSA-N
XLogP4.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide 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-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide
CID 132652069
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
CID 132653917
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide
CID 99993393
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
CID 133201762
N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide
CID 132651078
(2S,3S)-3-methyl-2-(4-phenoxybutanoylamino)pentanoic acid
CID 61138065
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide
CID 112504169
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 132653987
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 1271468
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea
CID 108886994

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide (CID 132653922) is N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide is CCC(NC(=O)CCCOc1ccccc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide?
The InChIKey is HRTXFWZPJKCJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-18(16-12-13-19(24-2)20(15-16)25-3)22-21(23)11-8-14-26-17-9-6-5-7-10-17/h5-7,9-10,12-13,15,18H,4,8,11,14H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide?
N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide has a molecular weight of 357.45 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide is sourced from PubChem (CID 132653922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).