4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide

C13H19N3O2 — CID 62249331

IUPAC4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESNNc1ccc(C(=O)NCCC2CCCO2)cc1
InChIInChI=1S/C13H19N3O2/c14-16-11-5-3-10(4-6-11)13(17)15-8-7-12-2-1-9-18-12/h3-6,12,16H,1-2,7-9,14H2,(H,15,17)
InChIKeyRDELXNXVUKQTTH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.27
Rot. Bonds5

About 4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide

4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide (PubChem CID 62249331) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
PubChem CID62249331
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESNNc1ccc(C(=O)NCCC2CCCO2)cc1
InChIInChI=1S/C13H19N3O2/c14-16-11-5-3-10(4-6-11)13(17)15-8-7-12-2-1-9-18-12/h3-6,12,16H,1-2,7-9,14H2,(H,15,17)
InChIKeyRDELXNXVUKQTTH-UHFFFAOYSA-N
XLogP1.27
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.27
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

5-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 104642487
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate
CID 31400679
N-[2-(oxan-2-yl)ethyl]-4-sulfamoylbenzamide
CID 103993185
N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31400597
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55631834
4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 65163508
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 60734395
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide (CID 62249331) is 4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide is NNc1ccc(C(=O)NCCC2CCCO2)cc1.
What is the InChIKey of 4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is RDELXNXVUKQTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-16-11-5-3-10(4-6-11)13(17)15-8-7-12-2-1-9-18-12/h3-6,12,16H,1-2,7-9,14H2,(H,15,17).
What are the key properties of 4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide?
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 62249331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).