N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide

C13H18N4O3 — CID 62856100

IUPACN-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide
SMILESCN(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C13H18N4O3/c1-16(8-9-3-2-4-9)13(18)10-5-6-12(17(19)20)11(7-10)15-14/h5-7,9,15H,2-4,8,14H2,1H3
InChIKeyYEVGCWZFPFWKTM-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.75
Rot. Bonds5

About N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide

N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide (PubChem CID 62856100) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide
PubChem CID62856100
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide
SMILESCN(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C13H18N4O3/c1-16(8-9-3-2-4-9)13(18)10-5-6-12(17(19)20)11(7-10)15-14/h5-7,9,15H,2-4,8,14H2,1H3
InChIKeyYEVGCWZFPFWKTM-UHFFFAOYSA-N
XLogP1.75
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide 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

3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide
CID 63656778
3-amino-N-(cyclohexylmethyl)-N-methyl-4-nitrobenzamide
CID 62681600
3-hydrazinyl-N-methyl-N-(2-methylpropyl)-4-nitrobenzamide
CID 62680724
4-bromo-N-(cyclopentylmethyl)-N-methyl-3-nitrobenzamide
CID 63632321
N-(cyclopentylmethyl)-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 63655560
4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 62247819
3-hydrazinyl-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62682884
N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
3,4-dichloro-N-(cyclobutylmethyl)-N-methyl-5-nitrobenzamide
CID 62862378
(3-hydrazinyl-4-nitrophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62681422
N-(cyclobutylmethyl)-2-hydrazinyl-N,5-dimethylbenzamide
CID 62856101
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide?
The IUPAC name of N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide (CID 62856100) is N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide is CN(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide?
The InChIKey is YEVGCWZFPFWKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-16(8-9-3-2-4-9)13(18)10-5-6-12(17(19)20)11(7-10)15-14/h5-7,9,15H,2-4,8,14H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide?
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide has a molecular weight of 278.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 62856100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).