N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide

C20H25NO3 — CID 19221044

IUPACN-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
SMILESCCCCOc1ccccc1NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C20H25NO3/c1-3-4-15-24-19-8-6-5-7-18(19)21-20(22)14-11-16-9-12-17(23-2)13-10-16/h5-10,12-13H,3-4,11,14-15H2,1-2H3,(H,21,22)
InChIKeyNQMGQSCXHVEYGT-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.45
Rot. Bonds9

About N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide

N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 19221044) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
PubChem CID19221044
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
SMILESCCCCOc1ccccc1NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C20H25NO3/c1-3-4-15-24-19-8-6-5-7-18(19)21-20(22)14-11-16-9-12-17(23-2)13-10-16/h5-10,12-13H,3-4,11,14-15H2,1-2H3,(H,21,22)
InChIKeyNQMGQSCXHVEYGT-UHFFFAOYSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-butoxyphenyl)-3-(4-methoxyphenyl)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,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 54801636
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N-(2-butoxyphenyl)propanamide
CID 15943029
4-[3-[2-(3-methoxypropoxy)anilino]-3-oxopropyl]benzoic acid
CID 119182274
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-butoxyphenyl)propanamide
CID 2071400
3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride
CID 120608637
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 55906665
2-(2-fluorophenoxy)ethyl 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 18285361
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide (CID 19221044) is N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide is CCCCOc1ccccc1NC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is NQMGQSCXHVEYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-4-15-24-19-8-6-5-7-18(19)21-20(22)14-11-16-9-12-17(23-2)13-10-16/h5-10,12-13H,3-4,11,14-15H2,1-2H3,(H,21,22).
What are the key properties of N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide?
N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 327.42 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 19221044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).