N-(3-methylbutan-2-yl)benzohydrazide

C12H18N2O — CID 174972153

IUPACN-(3-methylbutan-2-yl)benzohydrazide
SMILESCC(C)C(C)N(N)C(=O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-9(2)10(3)14(13)12(15)11-7-5-4-6-8-11/h4-10H,13H2,1-3H3
InChIKeyVDNMZOCRHYOIPE-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.05
Rot. Bonds3

About N-(3-methylbutan-2-yl)benzohydrazide

N-(3-methylbutan-2-yl)benzohydrazide (PubChem CID 174972153) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)benzohydrazide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)benzohydrazide
PubChem CID174972153
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(3-methylbutan-2-yl)benzohydrazide
SMILESCC(C)C(C)N(N)C(=O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-9(2)10(3)14(13)12(15)11-7-5-4-6-8-11/h4-10H,13H2,1-3H3
InChIKeyVDNMZOCRHYOIPE-UHFFFAOYSA-N
XLogP2.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzamide;2,3-dimethylbutane
CID 162214835
N-benzoyl-4-methylbenzohydrazide
CID 174274321
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
(2R)-2-amino-3-methyl-1-phenylbutan-1-one
CID 23245859
methyl N-amino-N-benzoylcarbamate
CID 69339963
N-methyl-N-propan-2-yloxybenzamide
CID 89406419
N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
N-hydroxy-N-(1-phenylethyl)benzamide
CID 23260477
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
N-pyrimidin-2-ylbenzohydrazide
CID 140615438
1,1-diaminourea;1-phenylethylbenzene
CID 174865335
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)benzohydrazide?
The IUPAC name of N-(3-methylbutan-2-yl)benzohydrazide (CID 174972153) is N-(3-methylbutan-2-yl)benzohydrazide.
What is the SMILES notation for N-(3-methylbutan-2-yl)benzohydrazide?
The canonical SMILES for N-(3-methylbutan-2-yl)benzohydrazide is CC(C)C(C)N(N)C(=O)c1ccccc1.
What is the InChIKey of N-(3-methylbutan-2-yl)benzohydrazide?
The InChIKey is VDNMZOCRHYOIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)10(3)14(13)12(15)11-7-5-4-6-8-11/h4-10H,13H2,1-3H3.
What are the key properties of N-(3-methylbutan-2-yl)benzohydrazide?
N-(3-methylbutan-2-yl)benzohydrazide has a molecular weight of 206.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)benzohydrazide is sourced from PubChem (CID 174972153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).