N-(3-amino-3-oxo-1-phenylpropyl)butanamide

C13H18N2O2 — CID 44600497

IUPACN-(3-amino-3-oxo-1-phenylpropyl)butanamide
SMILESCCCC(=O)NC(CC(N)=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-2-6-13(17)15-11(9-12(14)16)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyJTKNGHACKSEPDW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.52
Rot. Bonds6

About N-(3-amino-3-oxo-1-phenylpropyl)butanamide

N-(3-amino-3-oxo-1-phenylpropyl)butanamide (PubChem CID 44600497) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3-amino-3-oxo-1-phenylpropyl)butanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxo-1-phenylpropyl)butanamide
PubChem CID44600497
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(3-amino-3-oxo-1-phenylpropyl)butanamide
SMILESCCCC(=O)NC(CC(N)=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-2-6-13(17)15-11(9-12(14)16)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyJTKNGHACKSEPDW-UHFFFAOYSA-N
XLogP1.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide
CID 174412300
3-phenyl-3-(propylamino)propanamide
CID 65235689
methyl (3S)-3-(pentanoylamino)-3-phenylpropanoate
CID 94017394
3-(butanoylamino)-3-(3-methylphenyl)propanoic acid
CID 112508722
3-[3-(ethylamino)propanoylamino]-3-phenylpropanoic acid
CID 62835144
3-(butanoylamino)-3-(3-chlorophenyl)propanoic acid
CID 112509587
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
methyl 3-(3-aminopropanoylamino)-3-phenylpropanoate;hydrochloride
CID 119274310
3-(3-methylsulfanylpropanoylamino)-3-phenylpropanoic acid
CID 43183457
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
N-(1,2-diphenylethyl)pentanamide
CID 134014505

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxo-1-phenylpropyl)butanamide?
The IUPAC name of N-(3-amino-3-oxo-1-phenylpropyl)butanamide (CID 44600497) is N-(3-amino-3-oxo-1-phenylpropyl)butanamide.
What is the SMILES notation for N-(3-amino-3-oxo-1-phenylpropyl)butanamide?
The canonical SMILES for N-(3-amino-3-oxo-1-phenylpropyl)butanamide is CCCC(=O)NC(CC(N)=O)c1ccccc1.
What is the InChIKey of N-(3-amino-3-oxo-1-phenylpropyl)butanamide?
The InChIKey is JTKNGHACKSEPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-6-13(17)15-11(9-12(14)16)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-(3-amino-3-oxo-1-phenylpropyl)butanamide?
N-(3-amino-3-oxo-1-phenylpropyl)butanamide has a molecular weight of 234.30 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxo-1-phenylpropyl)butanamide is sourced from PubChem (CID 44600497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).