4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide

C16H23NO3 — CID 94041532

IUPAC4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCCCOC)cc1
InChIInChI=1S/C16H23NO3/c1-3-13-5-7-14(8-6-13)15(18)9-10-16(19)17-11-4-12-20-2/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyRFCFYWGMRYARSM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds9

About 4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide

4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide (PubChem CID 94041532) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide
PubChem CID94041532
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCCCOC)cc1
InChIInChI=1S/C16H23NO3/c1-3-13-5-7-14(8-6-13)15(18)9-10-16(19)17-11-4-12-20-2/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyRFCFYWGMRYARSM-UHFFFAOYSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 110298068
4-(4-tert-butylphenyl)-N-(2-methoxyethyl)-4-oxobutanamide
CID 110297948
N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533
4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
N-(3-ethoxypropyl)-3-(4-ethylphenyl)propanamide
CID 78794718
4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110407748
4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 24634981
2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide
CID 147853289
4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide
CID 78780258

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide (CID 94041532) is 4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)NCCCOC)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide?
The InChIKey is RFCFYWGMRYARSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-13-5-7-14(8-6-13)15(18)9-10-16(19)17-11-4-12-20-2/h5-8H,3-4,9-12H2,1-2H3,(H,17,19).
What are the key properties of 4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide?
4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide has a molecular weight of 277.36 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide is sourced from PubChem (CID 94041532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).