3-methyl-N'-(2-phenylbutanoyl)butanehydrazide

C15H22N2O2 — CID 43020201

IUPAC3-methyl-N'-(2-phenylbutanoyl)butanehydrazide
SMILESCCC(C(=O)NNC(=O)CC(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-4-13(12-8-6-5-7-9-12)15(19)17-16-14(18)10-11(2)3/h5-9,11,13H,4,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyIRHFMLWRQGBXJK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.37
Rot. Bonds5

About 3-methyl-N'-(2-phenylbutanoyl)butanehydrazide

3-methyl-N'-(2-phenylbutanoyl)butanehydrazide (PubChem CID 43020201) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-methyl-N'-(2-phenylbutanoyl)butanehydrazide.

Molecular Properties

Compound Name3-methyl-N'-(2-phenylbutanoyl)butanehydrazide
PubChem CID43020201
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-methyl-N'-(2-phenylbutanoyl)butanehydrazide
SMILESCCC(C(=O)NNC(=O)CC(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-4-13(12-8-6-5-7-9-12)15(19)17-16-14(18)10-11(2)3/h5-9,11,13H,4,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyIRHFMLWRQGBXJK-UHFFFAOYSA-N
XLogP2.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N'-(2-phenylbutanoyl)butanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-phenylbutanoylamino)urea
CID 63946462
3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide
CID 24543011
3-(2-phenylbutanoylamino)butanoic acid
CID 43240651
2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide
CID 51145365
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
(2R)-N-methylsulfonyl-2-phenylbutanamide
CID 94188019
(2S)-N-ethoxy-2-phenylbutanamide
CID 94018307
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylbutanehydrazide
CID 43006891
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(2-phenylbutanoyl)butanehydrazide?
The IUPAC name of 3-methyl-N'-(2-phenylbutanoyl)butanehydrazide (CID 43020201) is 3-methyl-N'-(2-phenylbutanoyl)butanehydrazide.
What is the SMILES notation for 3-methyl-N'-(2-phenylbutanoyl)butanehydrazide?
The canonical SMILES for 3-methyl-N'-(2-phenylbutanoyl)butanehydrazide is CCC(C(=O)NNC(=O)CC(C)C)c1ccccc1.
What is the InChIKey of 3-methyl-N'-(2-phenylbutanoyl)butanehydrazide?
The InChIKey is IRHFMLWRQGBXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-13(12-8-6-5-7-9-12)15(19)17-16-14(18)10-11(2)3/h5-9,11,13H,4,10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 3-methyl-N'-(2-phenylbutanoyl)butanehydrazide?
3-methyl-N'-(2-phenylbutanoyl)butanehydrazide has a molecular weight of 262.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(2-phenylbutanoyl)butanehydrazide is sourced from PubChem (CID 43020201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).