4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide

C13H19N3O2 — CID 54881613

IUPAC4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide
SMILESNCCCC(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C13H19N3O2/c14-8-4-7-12(17)16-10-13(18)15-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H,15,18)(H,16,17)
InChIKeySPYWLFPPCMPWJB-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.16
Rot. Bonds7

About 4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide

4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide (PubChem CID 54881613) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide
PubChem CID54881613
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide
SMILESNCCCC(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C13H19N3O2/c14-8-4-7-12(17)16-10-13(18)15-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H,15,18)(H,16,17)
InChIKeySPYWLFPPCMPWJB-UHFFFAOYSA-N
XLogP0.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-benzyl-6-oxohexanamide
CID 172715262
N-benzyl-2-hydrazinylacetamide
CID 15514349
N-benzyl-2-(carbamothioylamino)acetamide
CID 86103801
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
CID 110285273
3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309735
N'-benzylbutanediamide
CID 4682951
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride
CID 119725132
N-benzylundecanamide
CID 5078198
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide (CID 54881613) is 4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide is NCCCC(=O)NCC(=O)NCc1ccccc1.
What is the InChIKey of 4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide?
The InChIKey is SPYWLFPPCMPWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-8-4-7-12(17)16-10-13(18)15-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide?
4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide has a molecular weight of 249.31 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 54881613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).