N'-butanoyl-N-methylbenzohydrazide

C12H16N2O2 — CID 151710064

IUPACN'-butanoyl-N-methylbenzohydrazide
SMILESCCCC(=O)NN(C)C(=O)c1ccccc1
InChIInChI=1S/C12H16N2O2/c1-3-7-11(15)13-14(2)12(16)10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3,(H,13,15)
InChIKeyRGJGPEVABWTIJU-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.59
Rot. Bonds3

About N'-butanoyl-N-methylbenzohydrazide

N'-butanoyl-N-methylbenzohydrazide (PubChem CID 151710064) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N'-butanoyl-N-methylbenzohydrazide.

Molecular Properties

Compound NameN'-butanoyl-N-methylbenzohydrazide
PubChem CID151710064
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN'-butanoyl-N-methylbenzohydrazide
SMILESCCCC(=O)NN(C)C(=O)c1ccccc1
InChIInChI=1S/C12H16N2O2/c1-3-7-11(15)13-14(2)12(16)10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3,(H,13,15)
InChIKeyRGJGPEVABWTIJU-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butanoyl-N-propylbenzamide
CID 70941556
4-(2,2-dibenzoylhydrazinyl)-4-oxobutanoic acid
CID 154425317
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
1-phenylbutan-1-one
CID 10315
1-phenylbutan-1-one;hydrobromide
CID 139638507
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
N-tert-butyl-N'-propanoylbenzohydrazide
CID 57065241
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
methanethiol;1-phenylbutan-1-one
CID 143799522
molecular hydrogen;1-phenylbutan-1-one
CID 142208814
N-[4-(N-methylanilino)phenyl]butanamide
CID 112986076
3-[2-(benzenecarbonothioyl)-2-methylhydrazinyl]-3-oxopropanamide
CID 89295759

Frequently Asked Questions

What is the IUPAC name of N'-butanoyl-N-methylbenzohydrazide?
The IUPAC name of N'-butanoyl-N-methylbenzohydrazide (CID 151710064) is N'-butanoyl-N-methylbenzohydrazide.
What is the SMILES notation for N'-butanoyl-N-methylbenzohydrazide?
The canonical SMILES for N'-butanoyl-N-methylbenzohydrazide is CCCC(=O)NN(C)C(=O)c1ccccc1.
What is the InChIKey of N'-butanoyl-N-methylbenzohydrazide?
The InChIKey is RGJGPEVABWTIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-7-11(15)13-14(2)12(16)10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3,(H,13,15).
What are the key properties of N'-butanoyl-N-methylbenzohydrazide?
N'-butanoyl-N-methylbenzohydrazide has a molecular weight of 220.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butanoyl-N-methylbenzohydrazide is sourced from PubChem (CID 151710064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).