N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide

C14H18N2O3 — CID 47189407

IUPACN'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide
SMILESCc1ccccc1CC(=O)NNC(=O)C1CCCO1
InChIInChI=1S/C14H18N2O3/c1-10-5-2-3-6-11(10)9-13(17)15-16-14(18)12-7-4-8-19-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyODYNHDUHSISDHT-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.86
Rot. Bonds3

About N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide

N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide (PubChem CID 47189407) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide
PubChem CID47189407
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide
SMILESCc1ccccc1CC(=O)NNC(=O)C1CCCO1
InChIInChI=1S/C14H18N2O3/c1-10-5-2-3-6-11(10)9-13(17)15-16-14(18)12-7-4-8-19-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyODYNHDUHSISDHT-UHFFFAOYSA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methylphenyl)acetyl]cyclopropanecarbohydrazide
CID 34261074
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
CID 5343509
(2R)-N-(2-ethyl-6-methylphenyl)oxolane-2-carboxamide
CID 887643
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide
CID 86985909
N'-[2-(2,4-dimethylphenoxy)acetyl]oxolane-2-carbohydrazide
CID 2873188
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35277538
N'-[2-(4-pyrazol-1-ylphenyl)acetyl]oxolane-2-carbohydrazide
CID 86991486
(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide
CID 774185
N'-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxolane-2-carbohydrazide
CID 60556517

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide?
The IUPAC name of N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide (CID 47189407) is N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide is Cc1ccccc1CC(=O)NNC(=O)C1CCCO1.
What is the InChIKey of N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide?
The InChIKey is ODYNHDUHSISDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-5-2-3-6-11(10)9-13(17)15-16-14(18)12-7-4-8-19-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide?
N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide has a molecular weight of 262.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 47189407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).