N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide

C11H22N2O2 — CID 96554380

IUPACN-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CCCC[C@@H]1NCCO
InChIInChI=1S/C11H22N2O2/c1-9(15)13(2)11-6-4-3-5-10(11)12-7-8-14/h10-12,14H,3-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyGECFBCVUOHTQTD-WDEREUQCSA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds4

About N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide

N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide (PubChem CID 96554380) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide
PubChem CID96554380
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CCCC[C@@H]1NCCO
InChIInChI=1S/C11H22N2O2/c1-9(15)13(2)11-6-4-3-5-10(11)12-7-8-14/h10-12,14H,3-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyGECFBCVUOHTQTD-WDEREUQCSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid
CID 96554681
N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide
CID 96554405
2-[[(1R,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]ethanol
CID 124526902
2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol
CID 96554725
N-methyl-N-[(2S)-2-(methylamino)cyclopentyl]acetamide
CID 121478943
N-[(1R,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminoacetamide
CID 96554525
N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]acetamide
CID 96553168
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide
CID 96554576
2-[(2-tert-butylcyclohexyl)amino]ethanol
CID 43085233
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-amino-3-methylbutanamide
CID 96554628
N-(2-bromocyclohexyl)-N-methylacetamide
CID 102638316
benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate
CID 96553859

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide?
The IUPAC name of N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide (CID 96554380) is N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide.
What is the SMILES notation for N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide?
The canonical SMILES for N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide is CC(=O)N(C)[C@@H]1CCCC[C@@H]1NCCO.
What is the InChIKey of N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide?
The InChIKey is GECFBCVUOHTQTD-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(15)13(2)11-6-4-3-5-10(11)12-7-8-14/h10-12,14H,3-8H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide?
N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide has a molecular weight of 214.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 96554380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).