4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide

C12H19N3O — CID 4915

IUPAC4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
SMILESCNNCc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)
InChIKeyCPTBDICYNRMXFX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.05
Rot. Bonds5

About 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide

4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide (PubChem CID 4915) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
PubChem CID4915
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
SMILESCNNCc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)
InChIKeyCPTBDICYNRMXFX-UHFFFAOYSA-N
XLogP1.05
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.05
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

Procarbazine Hydrochloride
CID 9703
Benmoxin
CID 71671
N-Propylbenzamide
CID 25354
Amylase
CID 71475145
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
N-Isopropylbenzamide
CID 79503
N-(2-Methylpropyl)benzamide
CID 95140
N,N-Diethyl-p-toluamide
CID 75946
N-Ethyl-3-toluamide
CID 93103
N-4-Piperidylbenzamide
CID 118120

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide (CID 4915) is 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide is CNNCc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is CPTBDICYNRMXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16).
What are the key properties of 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide?
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 4915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).