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

C13H26N2O2 — CID 96554405

IUPACN-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(C(C)C)[C@H]1CCCC[C@H]1NCCO
InChIInChI=1S/C13H26N2O2/c1-10(2)15(11(3)17)13-7-5-4-6-12(13)14-8-9-16/h10,12-14,16H,4-9H2,1-3H3/t12-,13+/m1/s1
InChIKeyUECAOWQKLNMXRT-OLZOCXBDSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds5

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

N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide (PubChem CID 96554405) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide
PubChem CID96554405
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(C(C)C)[C@H]1CCCC[C@H]1NCCO
InChIInChI=1S/C13H26N2O2/c1-10(2)15(11(3)17)13-7-5-4-6-12(13)14-8-9-16/h10,12-14,16H,4-9H2,1-3H3/t12-,13+/m1/s1
InChIKeyUECAOWQKLNMXRT-OLZOCXBDSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 96554696
2-[[(1R,2S)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 96554699
N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide
CID 96554380
2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol
CID 96554725
N-[(1S,2S)-2-[acetyl(propan-2-yl)amino]cyclohexyl]-2-chloroacetamide
CID 96554492
benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate
CID 96553870
2-[[(1R,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]ethanol
CID 124526902
N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]acetamide
CID 96553168
benzyl N-ethyl-N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]carbamate
CID 96553859
2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189
2-[(2-tert-butylcyclohexyl)amino]ethanol
CID 43085233
2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
CID 96555299

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide (CID 96554405) is N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide is CC(=O)N(C(C)C)[C@H]1CCCC[C@H]1NCCO.
What is the InChIKey of N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide?
The InChIKey is UECAOWQKLNMXRT-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)15(11(3)17)13-7-5-4-6-12(13)14-8-9-16/h10,12-14,16H,4-9H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide?
N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 96554405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).