N'-(2-amino-3-methylbutanoyl)benzohydrazide

C12H17N3O2 — CID 82116600

IUPACN'-(2-amino-3-methylbutanoyl)benzohydrazide
SMILESCC(C)C(N)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c1-8(2)10(13)12(17)15-14-11(16)9-6-4-3-5-7-9/h3-8,10H,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMFCVQNFAKLOYML-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.43
Rot. Bonds3

About N'-(2-amino-3-methylbutanoyl)benzohydrazide

N'-(2-amino-3-methylbutanoyl)benzohydrazide (PubChem CID 82116600) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-(2-amino-3-methylbutanoyl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-amino-3-methylbutanoyl)benzohydrazide
PubChem CID82116600
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN'-(2-amino-3-methylbutanoyl)benzohydrazide
SMILESCC(C)C(N)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c1-8(2)10(13)12(17)15-14-11(16)9-6-4-3-5-7-9/h3-8,10H,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMFCVQNFAKLOYML-UHFFFAOYSA-N
XLogP0.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.43
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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Related Compounds

(2R)-2-amino-3-methyl-1-phenylbutan-1-one
CID 23245859
N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide
CID 7601517
(2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide
CID 56956524
N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride
CID 18770587
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
CID 8864955
N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide
CID 90371495
N'-[(2R)-2-aminopropanoyl]pyridine-4-carbohydrazide
CID 24838770
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
N-[3-methyl-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 55675733
benzamidothiourea
CID 781748

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-3-methylbutanoyl)benzohydrazide?
The IUPAC name of N'-(2-amino-3-methylbutanoyl)benzohydrazide (CID 82116600) is N'-(2-amino-3-methylbutanoyl)benzohydrazide.
What is the SMILES notation for N'-(2-amino-3-methylbutanoyl)benzohydrazide?
The canonical SMILES for N'-(2-amino-3-methylbutanoyl)benzohydrazide is CC(C)C(N)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-(2-amino-3-methylbutanoyl)benzohydrazide?
The InChIKey is MFCVQNFAKLOYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)10(13)12(17)15-14-11(16)9-6-4-3-5-7-9/h3-8,10H,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2-amino-3-methylbutanoyl)benzohydrazide?
N'-(2-amino-3-methylbutanoyl)benzohydrazide has a molecular weight of 235.29 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-3-methylbutanoyl)benzohydrazide is sourced from PubChem (CID 82116600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).