4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide

C19H21NO3 — CID 32577468

IUPAC4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-2-15-8-10-17(11-9-15)18(21)12-13-19(22)20-23-14-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,20,22)
InChIKeyCUHCKNMMVABIGO-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.46
Rot. Bonds8

About 4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide

4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide (PubChem CID 32577468) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide
PubChem CID32577468
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-2-15-8-10-17(11-9-15)18(21)12-13-19(22)20-23-14-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,20,22)
InChIKeyCUHCKNMMVABIGO-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylmethoxyhexanamide
CID 60717350
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
1-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-3-phenylthiourea
CID 18291304
4-amino-N-phenylmethoxypentanamide
CID 64974762
4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide
CID 110001369
8-amino-N-phenylmethoxydecanamide;hydrochloride
CID 174601541
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168
benzyl 2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]acetate
CID 26878237
N-(2-ethoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 38169062
N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
CID 71943599
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide?
The IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide (CID 32577468) is 4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide is CCc1ccc(C(=O)CCC(=O)NOCc2ccccc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide?
The InChIKey is CUHCKNMMVABIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-15-8-10-17(11-9-15)18(21)12-13-19(22)20-23-14-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,20,22).
What are the key properties of 4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide?
4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide has a molecular weight of 311.38 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide is sourced from PubChem (CID 32577468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).