N-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide

C15H21N3O3 — CID 3638633

IUPACN-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide
SMILESCCCC(=O)NNC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H21N3O3/c1-2-6-14(20)17-18-15(21)10-9-13(19)16-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyQZWCWQMGSKTLOK-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.03
Rot. Bonds7

About N-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide

N-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide (PubChem CID 3638633) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide
PubChem CID3638633
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide
SMILESCCCC(=O)NNC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H21N3O3/c1-2-6-14(20)17-18-15(21)10-9-13(19)16-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyQZWCWQMGSKTLOK-UHFFFAOYSA-N
XLogP1.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide?
The IUPAC name of N-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide (CID 3638633) is N-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide is CCCC(=O)NNC(=O)CCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide?
The InChIKey is QZWCWQMGSKTLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-6-14(20)17-18-15(21)10-9-13(19)16-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide?
N-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide has a molecular weight of 291.35 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-butanoylhydrazinyl)-4-oxobutanamide is sourced from PubChem (CID 3638633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).