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

C13H19N3O2 — CID 62247297

IUPAC4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
SMILESNNc1ccc(C(=O)NCC2CCCOC2)cc1
InChIInChI=1S/C13H19N3O2/c14-16-12-5-3-11(4-6-12)13(17)15-8-10-2-1-7-18-9-10/h3-6,10,16H,1-2,7-9,14H2,(H,15,17)
InChIKeyFRSAJJZCKKYJHV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.13
Rot. Bonds4

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

4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide (PubChem CID 62247297) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
PubChem CID62247297
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
SMILESNNc1ccc(C(=O)NCC2CCCOC2)cc1
InChIInChI=1S/C13H19N3O2/c14-16-12-5-3-11(4-6-12)13(17)15-8-10-2-1-7-18-9-10/h3-6,10,16H,1-2,7-9,14H2,(H,15,17)
InChIKeyFRSAJJZCKKYJHV-UHFFFAOYSA-N
XLogP1.13
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.13
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'}

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Related Compounds

4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide
CID 47447689
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432
N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide
CID 63737546
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
6-hydrazinyl-N-(oxan-3-ylmethyl)pyridazine-3-carboxamide
CID 62249832
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
CID 99806943
4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
CID 61217199
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
CID 79672650
4-(2-methylsulfanylphenyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126439334
4-(3,4-difluoro-5-hydroxyphenyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126429664

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide (CID 62247297) is 4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide is NNc1ccc(C(=O)NCC2CCCOC2)cc1.
What is the InChIKey of 4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is FRSAJJZCKKYJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-16-12-5-3-11(4-6-12)13(17)15-8-10-2-1-7-18-9-10/h3-6,10,16H,1-2,7-9,14H2,(H,15,17).
What are the key properties of 4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide?
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 62247297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).