4-ethoxy-N-phenylbutanamide

C12H17NO2 — CID 112728021

IUPAC4-ethoxy-N-phenylbutanamide
SMILESCCOCCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-15-10-6-9-12(14)13-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14)
InChIKeyIUIBRWVZHFQLSO-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.44
Rot. Bonds6

About 4-ethoxy-N-phenylbutanamide

4-ethoxy-N-phenylbutanamide (PubChem CID 112728021) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-ethoxy-N-phenylbutanamide.

Molecular Properties

Compound Name4-ethoxy-N-phenylbutanamide
PubChem CID112728021
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-ethoxy-N-phenylbutanamide
SMILESCCOCCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-15-10-6-9-12(14)13-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14)
InChIKeyIUIBRWVZHFQLSO-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-ethoxybutanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912886
4-ethoxy-N-[4-(ethylaminomethyl)phenyl]butanamide
CID 106910220
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-phenyl-4-triethoxysilylbutanamide
CID 150591248
4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910729
2-bromo-5-(4-ethoxybutanoylamino)benzoic acid
CID 113281018
N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide
CID 47228165
2-ethoxyethyl N-phenylcarbamate
CID 4101389
(6-anilino-6-oxohexyl) acetate
CID 154158064
2-[2-[(4-ethoxybutanoylamino)methyl]phenyl]acetic acid
CID 81317970
3-(3-ethoxypropanoylamino)benzoic acid
CID 55023446

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-phenylbutanamide?
The IUPAC name of 4-ethoxy-N-phenylbutanamide (CID 112728021) is 4-ethoxy-N-phenylbutanamide.
What is the SMILES notation for 4-ethoxy-N-phenylbutanamide?
The canonical SMILES for 4-ethoxy-N-phenylbutanamide is CCOCCCC(=O)Nc1ccccc1.
What is the InChIKey of 4-ethoxy-N-phenylbutanamide?
The InChIKey is IUIBRWVZHFQLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-15-10-6-9-12(14)13-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14).
What are the key properties of 4-ethoxy-N-phenylbutanamide?
4-ethoxy-N-phenylbutanamide has a molecular weight of 207.27 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-phenylbutanamide is sourced from PubChem (CID 112728021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).