N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide

C15H22N2O — CID 125464130

IUPACN'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide
SMILESCC(=O)NN[C@H]1CCCC[C@H]1Cc1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(18)16-17-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-11H2,1H3,(H,16,18)/t14-,15-/m0/s1
InChIKeyGETAJCJKNNOSFM-GJZGRUSLSA-N
MW246.35 g/mol
LogP2.43
Rot. Bonds4

About N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide

N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide (PubChem CID 125464130) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide.

Molecular Properties

Compound NameN'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide
PubChem CID125464130
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide
SMILESCC(=O)NN[C@H]1CCCC[C@H]1Cc1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(18)16-17-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-11H2,1H3,(H,16,18)/t14-,15-/m0/s1
InChIKeyGETAJCJKNNOSFM-GJZGRUSLSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1R,2S)-2-benzylcyclopentyl]acetohydrazide
CID 125464208
N-[2-[[(1S,2S)-2-benzylcyclopentyl]amino]ethyl]acetamide
CID 99579151
N-(2-benzylcyclohexyl)-2,2-difluoroacetamide
CID 167792579
3-amino-N-(2-benzylcyclohexyl)butanamide
CID 119773392
(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
CID 96532946
2-[[(1S,2R)-2-benzylcyclopentyl]amino]acetonitrile
CID 99792150
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride
CID 119317652
4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride
CID 119317648
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
4-amino-N-(2-benzylcyclopentyl)pentanamide;hydrochloride
CID 120563001
N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95298751

Frequently Asked Questions

What is the IUPAC name of N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide?
The IUPAC name of N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide (CID 125464130) is N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide.
What is the SMILES notation for N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide?
The canonical SMILES for N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide is CC(=O)NN[C@H]1CCCC[C@H]1Cc1ccccc1.
What is the InChIKey of N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide?
The InChIKey is GETAJCJKNNOSFM-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(18)16-17-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-11H2,1H3,(H,16,18)/t14-,15-/m0/s1.
What are the key properties of N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide?
N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide has a molecular weight of 246.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide is sourced from PubChem (CID 125464130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).