2-[2-(oxan-2-yl)acetyl]benzohydrazide

C14H18N2O3 — CID 175764371

IUPAC2-[2-(oxan-2-yl)acetyl]benzohydrazide
SMILESNNC(=O)c1ccccc1C(=O)CC1CCCCO1
InChIInChI=1S/C14H18N2O3/c15-16-14(18)12-7-2-1-6-11(12)13(17)9-10-5-3-4-8-19-10/h1-2,6-7,10H,3-5,8-9,15H2,(H,16,18)
InChIKeyRGLVHAYYPSXUAC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.43
Rot. Bonds4

About 2-[2-(oxan-2-yl)acetyl]benzohydrazide

2-[2-(oxan-2-yl)acetyl]benzohydrazide (PubChem CID 175764371) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-(oxan-2-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-[2-(oxan-2-yl)acetyl]benzohydrazide
PubChem CID175764371
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2-(oxan-2-yl)acetyl]benzohydrazide
SMILESNNC(=O)c1ccccc1C(=O)CC1CCCCO1
InChIInChI=1S/C14H18N2O3/c15-16-14(18)12-7-2-1-6-11(12)13(17)9-10-5-3-4-8-19-10/h1-2,6-7,10H,3-5,8-9,15H2,(H,16,18)
InChIKeyRGLVHAYYPSXUAC-UHFFFAOYSA-N
XLogP1.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(oxan-2-yl)acetyl]benzohydrazide 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

2-[2-bromo-2-(oxan-2-yl)propanoyl]benzohydrazide
CID 164857060
2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone
CID 113391238
2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
CID 141301620
1-(4-aminophenyl)-2-(oxolan-2-yl)ethanone
CID 65159707
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-[2-(oxan-2-ylmethylamino)ethyl]benzoic acid
CID 113425613
2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993683
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
2-cyclopentylbenzohydrazide
CID 68852694
1-N-[[(2S)-oxolan-2-yl]methyl]-2-N,2-N-diphenylbenzene-1,2-dicarboxamide
CID 1277512
1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one
CID 174883544
1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yl)acetyl]benzohydrazide?
The IUPAC name of 2-[2-(oxan-2-yl)acetyl]benzohydrazide (CID 175764371) is 2-[2-(oxan-2-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-[2-(oxan-2-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-[2-(oxan-2-yl)acetyl]benzohydrazide is NNC(=O)c1ccccc1C(=O)CC1CCCCO1.
What is the InChIKey of 2-[2-(oxan-2-yl)acetyl]benzohydrazide?
The InChIKey is RGLVHAYYPSXUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-16-14(18)12-7-2-1-6-11(12)13(17)9-10-5-3-4-8-19-10/h1-2,6-7,10H,3-5,8-9,15H2,(H,16,18).
What are the key properties of 2-[2-(oxan-2-yl)acetyl]benzohydrazide?
2-[2-(oxan-2-yl)acetyl]benzohydrazide has a molecular weight of 262.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yl)acetyl]benzohydrazide is sourced from PubChem (CID 175764371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).