4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide

C14H21N3O2 — CID 63706454

IUPAC4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCC2CCOCC2)ccc1NN
InChIInChI=1S/C14H21N3O2/c1-10-8-12(2-3-13(10)17-15)14(18)16-9-11-4-6-19-7-5-11/h2-3,8,11,17H,4-7,9,15H2,1H3,(H,16,18)
InChIKeyMWQLUOYNWIKMHT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.44
Rot. Bonds4

About 4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide

4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 63706454) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID63706454
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCC2CCOCC2)ccc1NN
InChIInChI=1S/C14H21N3O2/c1-10-8-12(2-3-13(10)17-15)14(18)16-9-11-4-6-19-7-5-11/h2-3,8,11,17H,4-7,9,15H2,1H3,(H,16,18)
InChIKeyMWQLUOYNWIKMHT-UHFFFAOYSA-N
XLogP1.44
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide 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

4-hydrazinyl-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63211845
3-bromo-4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 79462678
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63212001
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide
CID 83000421
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-(ethylamino)-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63247733
[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid
CID 90422434
4-bromo-3-chloro-N-(oxan-4-ylmethyl)benzamide
CID 80998003

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide (CID 63706454) is 4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide is Cc1cc(C(=O)NCC2CCOCC2)ccc1NN.
What is the InChIKey of 4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is MWQLUOYNWIKMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-8-12(2-3-13(10)17-15)14(18)16-9-11-4-6-19-7-5-11/h2-3,8,11,17H,4-7,9,15H2,1H3,(H,16,18).
What are the key properties of 4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide?
4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 63706454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).