N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide

C21H27NO4 — CID 54776981

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
SMILESCCCOc1ccc(CNC(=O)C(CC)Oc2ccccc2)cc1OC
InChIInChI=1S/C21H27NO4/c1-4-13-25-19-12-11-16(14-20(19)24-3)15-22-21(23)18(5-2)26-17-9-7-6-8-10-17/h6-12,14,18H,4-5,13,15H2,1-3H3,(H,22,23)
InChIKeyBJZDYKNSMBQBOC-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.96
Rot. Bonds10

About N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide (PubChem CID 54776981) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
PubChem CID54776981
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
SMILESCCCOc1ccc(CNC(=O)C(CC)Oc2ccccc2)cc1OC
InChIInChI=1S/C21H27NO4/c1-4-13-25-19-12-11-16(14-20(19)24-3)15-22-21(23)18(5-2)26-17-9-7-6-8-10-17/h6-12,14,18H,4-5,13,15H2,1-3H3,(H,22,23)
InChIKeyBJZDYKNSMBQBOC-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methoxy-4-propoxyphenyl)methyl]-2-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

(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide
CID 99817873
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide
CID 54785530
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46447003
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 132659523

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide (CID 54776981) is N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide is CCCOc1ccc(CNC(=O)C(CC)Oc2ccccc2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide?
The InChIKey is BJZDYKNSMBQBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-13-25-19-12-11-16(14-20(19)24-3)15-22-21(23)18(5-2)26-17-9-7-6-8-10-17/h6-12,14,18H,4-5,13,15H2,1-3H3,(H,22,23).
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide has a molecular weight of 357.45 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide is sourced from PubChem (CID 54776981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).