N-[(1S,2R)-2-ethylcyclohexyl]acetamide

C10H19NO — CID 162400753

IUPACN-[(1S,2R)-2-ethylcyclohexyl]acetamide
SMILESCC[C@@H]1CCCC[C@@H]1NC(C)=O
InChIInChI=1S/C10H19NO/c1-3-9-6-4-5-7-10(9)11-8(2)12/h9-10H,3-7H2,1-2H3,(H,11,12)/t9-,10+/m1/s1
InChIKeyNDTWELAGLZODDF-ZJUUUORDSA-N
MW169.27 g/mol
LogP2.09
Rot. Bonds2

About N-[(1S,2R)-2-ethylcyclohexyl]acetamide

N-[(1S,2R)-2-ethylcyclohexyl]acetamide (PubChem CID 162400753) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(1S,2R)-2-ethylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-ethylcyclohexyl]acetamide
PubChem CID162400753
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[(1S,2R)-2-ethylcyclohexyl]acetamide
SMILESCC[C@@H]1CCCC[C@@H]1NC(C)=O
InChIInChI=1S/C10H19NO/c1-3-9-6-4-5-7-10(9)11-8(2)12/h9-10H,3-7H2,1-2H3,(H,11,12)/t9-,10+/m1/s1
InChIKeyNDTWELAGLZODDF-ZJUUUORDSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
N-(2-ethylcyclopentyl)acetamide
CID 130891213
1-amino-N-(2-ethylcyclohexyl)cyclopropane-1-carboxamide
CID 65464011
1-(2-ethylcyclohexyl)-2-methylguanidine
CID 62360103
3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide
CID 63680548
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
1-butyl-3-(2-ethylcyclohexyl)urea
CID 115582575
ethyl 2-[[(2S)-2-acetamidocyclohexyl]methyl]prop-2-enoate
CID 134860047
2-amino-N-(2-ethylcyclohexyl)butanediamide
CID 60847116
1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea
CID 99786912
2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid
CID 54955651
3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide
CID 60867081

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-ethylcyclohexyl]acetamide?
The IUPAC name of N-[(1S,2R)-2-ethylcyclohexyl]acetamide (CID 162400753) is N-[(1S,2R)-2-ethylcyclohexyl]acetamide.
What is the SMILES notation for N-[(1S,2R)-2-ethylcyclohexyl]acetamide?
The canonical SMILES for N-[(1S,2R)-2-ethylcyclohexyl]acetamide is CC[C@@H]1CCCC[C@@H]1NC(C)=O.
What is the InChIKey of N-[(1S,2R)-2-ethylcyclohexyl]acetamide?
The InChIKey is NDTWELAGLZODDF-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9-6-4-5-7-10(9)11-8(2)12/h9-10H,3-7H2,1-2H3,(H,11,12)/t9-,10+/m1/s1.
What are the key properties of N-[(1S,2R)-2-ethylcyclohexyl]acetamide?
N-[(1S,2R)-2-ethylcyclohexyl]acetamide has a molecular weight of 169.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-ethylcyclohexyl]acetamide is sourced from PubChem (CID 162400753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).