4-amino-N-butyl-N-phenylpentanamide

C15H24N2O — CID 64585388

IUPAC4-amino-N-butyl-N-phenylpentanamide
SMILESCCCCN(C(=O)CCC(C)N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-4-12-17(14-8-6-5-7-9-14)15(18)11-10-13(2)16/h5-9,13H,3-4,10-12,16H2,1-2H3
InChIKeyNGDHPOVMSAXFRH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.95
Rot. Bonds7

About 4-amino-N-butyl-N-phenylpentanamide

4-amino-N-butyl-N-phenylpentanamide (PubChem CID 64585388) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-amino-N-butyl-N-phenylpentanamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-phenylpentanamide
PubChem CID64585388
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-amino-N-butyl-N-phenylpentanamide
SMILESCCCCN(C(=O)CCC(C)N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-4-12-17(14-8-6-5-7-9-14)15(18)11-10-13(2)16/h5-9,13H,3-4,10-12,16H2,1-2H3
InChIKeyNGDHPOVMSAXFRH-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
N-butyl-N-phenyl-2-(propan-2-ylamino)acetamide
CID 64584219
diethyl 2-[2-(N-butylanilino)-2-oxoethyl]propanedioate
CID 135072362
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide
CID 65291538
pentyl 5-(N-butylanilino)-5-oxopentanoate
CID 91707169
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
4-[N-(2-aminohexanoyl)anilino]butanoic acid
CID 61159735
3-(N-octanoylanilino)propanoic acid
CID 60831115
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
CID 119679254
4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-phenylpentanamide?
The IUPAC name of 4-amino-N-butyl-N-phenylpentanamide (CID 64585388) is 4-amino-N-butyl-N-phenylpentanamide.
What is the SMILES notation for 4-amino-N-butyl-N-phenylpentanamide?
The canonical SMILES for 4-amino-N-butyl-N-phenylpentanamide is CCCCN(C(=O)CCC(C)N)c1ccccc1.
What is the InChIKey of 4-amino-N-butyl-N-phenylpentanamide?
The InChIKey is NGDHPOVMSAXFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-12-17(14-8-6-5-7-9-14)15(18)11-10-13(2)16/h5-9,13H,3-4,10-12,16H2,1-2H3.
What are the key properties of 4-amino-N-butyl-N-phenylpentanamide?
4-amino-N-butyl-N-phenylpentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-phenylpentanamide is sourced from PubChem (CID 64585388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).