4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide

C15H23N3O2 — CID 114115346

IUPAC4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
SMILESCc1cc(NN)ccc1C(=O)NC(C)C1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-10-9-13(18-16)3-4-14(10)15(19)17-11(2)12-5-7-20-8-6-12/h3-4,9,11-12,18H,5-8,16H2,1-2H3,(H,17,19)
InChIKeyZOLHAXONHWCCDW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.83
Rot. Bonds4

About 4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide

4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide (PubChem CID 114115346) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
PubChem CID114115346
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
SMILESCc1cc(NN)ccc1C(=O)NC(C)C1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-10-9-13(18-16)3-4-14(10)15(19)17-11(2)12-5-7-20-8-6-12/h3-4,9,11-12,18H,5-8,16H2,1-2H3,(H,17,19)
InChIKeyZOLHAXONHWCCDW-UHFFFAOYSA-N
XLogP1.83
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.83
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

3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103812285
2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103769325
N-cycloheptyl-4-hydrazinyl-2-methylbenzamide
CID 113400294
4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 113400327
4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 119801767
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120792775
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
N-[1-(oxan-4-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 102559752
2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 105060780
2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 106502198
2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241559

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide?
The IUPAC name of 4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide (CID 114115346) is 4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide?
The canonical SMILES for 4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide is Cc1cc(NN)ccc1C(=O)NC(C)C1CCOCC1.
What is the InChIKey of 4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide?
The InChIKey is ZOLHAXONHWCCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-9-13(18-16)3-4-14(10)15(19)17-11(2)12-5-7-20-8-6-12/h3-4,9,11-12,18H,5-8,16H2,1-2H3,(H,17,19).
What are the key properties of 4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide?
4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2-methyl-N-[1-(oxan-4-yl)ethyl]benzamide is sourced from PubChem (CID 114115346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).