3-[1-(4-ethylphenyl)ethylamino]butanamide

C14H22N2O — CID 71902063

IUPAC3-[1-(4-ethylphenyl)ethylamino]butanamide
SMILESCCc1ccc(C(C)NC(C)CC(N)=O)cc1
InChIInChI=1S/C14H22N2O/c1-4-12-5-7-13(8-6-12)11(3)16-10(2)9-14(15)17/h5-8,10-11,16H,4,9H2,1-3H3,(H2,15,17)
InChIKeyZQARJYZAXJBHMC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.16
Rot. Bonds6

About 3-[1-(4-ethylphenyl)ethylamino]butanamide

3-[1-(4-ethylphenyl)ethylamino]butanamide (PubChem CID 71902063) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[1-(4-ethylphenyl)ethylamino]butanamide.

Molecular Properties

Compound Name3-[1-(4-ethylphenyl)ethylamino]butanamide
PubChem CID71902063
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[1-(4-ethylphenyl)ethylamino]butanamide
SMILESCCc1ccc(C(C)NC(C)CC(N)=O)cc1
InChIInChI=1S/C14H22N2O/c1-4-12-5-7-13(8-6-12)11(3)16-10(2)9-14(15)17/h5-8,10-11,16H,4,9H2,1-3H3,(H2,15,17)
InChIKeyZQARJYZAXJBHMC-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-tert-butylphenyl)ethylamino]butanamide
CID 115676438
(2R)-2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-phenylacetamide
CID 94180432
2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide
CID 60674323
3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide
CID 115867806
N-[1-(4-ethylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191926
ethyl 3-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81356889
(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 96528244
1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine
CID 113489748
3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide
CID 115879477
4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide
CID 94158544
3-amino-4-[1-(4-ethylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896081
methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate
CID 43723542

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylphenyl)ethylamino]butanamide?
The IUPAC name of 3-[1-(4-ethylphenyl)ethylamino]butanamide (CID 71902063) is 3-[1-(4-ethylphenyl)ethylamino]butanamide.
What is the SMILES notation for 3-[1-(4-ethylphenyl)ethylamino]butanamide?
The canonical SMILES for 3-[1-(4-ethylphenyl)ethylamino]butanamide is CCc1ccc(C(C)NC(C)CC(N)=O)cc1.
What is the InChIKey of 3-[1-(4-ethylphenyl)ethylamino]butanamide?
The InChIKey is ZQARJYZAXJBHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-12-5-7-13(8-6-12)11(3)16-10(2)9-14(15)17/h5-8,10-11,16H,4,9H2,1-3H3,(H2,15,17).
What are the key properties of 3-[1-(4-ethylphenyl)ethylamino]butanamide?
3-[1-(4-ethylphenyl)ethylamino]butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylphenyl)ethylamino]butanamide is sourced from PubChem (CID 71902063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).