N-[(1R,3S)-3-hydroxycyclohexyl]acetamide

C8H15NO2 — CID 121286290

IUPACN-[(1R,3S)-3-hydroxycyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C8H15NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h7-8,11H,2-5H2,1H3,(H,9,10)/t7-,8+/m1/s1
InChIKeyMRQCPIYEKZGIGM-SFYZADRCSA-N
MW157.21 g/mol
LogP0.43
Rot. Bonds1

About N-[(1R,3S)-3-hydroxycyclohexyl]acetamide

N-[(1R,3S)-3-hydroxycyclohexyl]acetamide (PubChem CID 121286290) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-[(1R,3S)-3-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-hydroxycyclohexyl]acetamide
PubChem CID121286290
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-[(1R,3S)-3-hydroxycyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C8H15NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h7-8,11H,2-5H2,1H3,(H,9,10)/t7-,8+/m1/s1
InChIKeyMRQCPIYEKZGIGM-SFYZADRCSA-N
XLogP0.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028
N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide
CID 130157948
methyl N-(3-hydroxycyclohexyl)carbamate
CID 103626697
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
[(1R,3R)-3-hydroxycycloheptyl]carbamic acid
CID 89396193
N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide
CID 139573748
1-ethyl-3-(3-hydroxycyclohexyl)urea
CID 103618902
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
CID 131102398
(2R)-2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide
CID 79011363
N-(3-hydroxycyclohexyl)-2-methylsulfanylacetamide
CID 131160438
N-[3-(bromomethyl)cyclohexyl]acetamide
CID 130538222

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-hydroxycyclohexyl]acetamide?
The IUPAC name of N-[(1R,3S)-3-hydroxycyclohexyl]acetamide (CID 121286290) is N-[(1R,3S)-3-hydroxycyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,3S)-3-hydroxycyclohexyl]acetamide?
The canonical SMILES for N-[(1R,3S)-3-hydroxycyclohexyl]acetamide is CC(=O)N[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of N-[(1R,3S)-3-hydroxycyclohexyl]acetamide?
The InChIKey is MRQCPIYEKZGIGM-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h7-8,11H,2-5H2,1H3,(H,9,10)/t7-,8+/m1/s1.
What are the key properties of N-[(1R,3S)-3-hydroxycyclohexyl]acetamide?
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide has a molecular weight of 157.21 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 121286290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).