4-ethoxy-4-(4-methylphenyl)butanamide

C13H19NO2 — CID 57049957

IUPAC4-ethoxy-4-(4-methylphenyl)butanamide
SMILESCCOC(CCC(N)=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-3-16-12(8-9-13(14)15)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H2,14,15)
InChIKeySAWPNVICJXMSOE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.34
Rot. Bonds6

About 4-ethoxy-4-(4-methylphenyl)butanamide

4-ethoxy-4-(4-methylphenyl)butanamide (PubChem CID 57049957) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-ethoxy-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-ethoxy-4-(4-methylphenyl)butanamide
PubChem CID57049957
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-ethoxy-4-(4-methylphenyl)butanamide
SMILESCCOC(CCC(N)=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-3-16-12(8-9-13(14)15)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H2,14,15)
InChIKeySAWPNVICJXMSOE-UHFFFAOYSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-2-phenylacetamide
CID 344721
3-Furamide, tetrahydro-5-oxo-2-phenyl-
CID 25940
[(1S)-2-amino-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
CID 134917967
(4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide
CID 11118838
2-[(S)-methoxy(phenyl)methyl]prop-2-enamide
CID 101229694
4-Hydroxy-4-(4-methylphenyl)pentanamide
CID 57276196
4-Hydroxy-4-(4-methylphenyl)butanamide
CID 57495771
3-Hydroxy-3-(4-methylphenyl)propanamide
CID 102384287
[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl] 4-carbamoylcyclohexane-1-carboxylate
CID 97790872
2-Fluoro-3-methoxy-3-phenylbutanamide
CID 57021177
4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568769
4-(2-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568773

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-(4-methylphenyl)butanamide?
The IUPAC name of 4-ethoxy-4-(4-methylphenyl)butanamide (CID 57049957) is 4-ethoxy-4-(4-methylphenyl)butanamide.
What is the SMILES notation for 4-ethoxy-4-(4-methylphenyl)butanamide?
The canonical SMILES for 4-ethoxy-4-(4-methylphenyl)butanamide is CCOC(CCC(N)=O)c1ccc(C)cc1.
What is the InChIKey of 4-ethoxy-4-(4-methylphenyl)butanamide?
The InChIKey is SAWPNVICJXMSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-12(8-9-13(14)15)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H2,14,15).
What are the key properties of 4-ethoxy-4-(4-methylphenyl)butanamide?
4-ethoxy-4-(4-methylphenyl)butanamide has a molecular weight of 221.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 57049957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).