2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide

C12H22N2O3 — CID 146041857

IUPAC2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
SMILESCC(=O)NCC(=O)N[C@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C12H22N2O3/c1-9(15)13-8-12(17)14-10-6-4-2-3-5-7-11(10)16/h10-11,16H,2-8H2,1H3,(H,13,15)(H,14,17)/t10-,11-/m0/s1
InChIKeyIKUBNARVTKPGIO-QWRGUYRKSA-N
MW242.32 g/mol
LogP0.32
Rot. Bonds3

About 2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide

2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide (PubChem CID 146041857) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
PubChem CID146041857
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
SMILESCC(=O)NCC(=O)N[C@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C12H22N2O3/c1-9(15)13-8-12(17)14-10-6-4-2-3-5-7-11(10)16/h10-11,16H,2-8H2,1H3,(H,13,15)(H,14,17)/t10-,11-/m0/s1
InChIKeyIKUBNARVTKPGIO-QWRGUYRKSA-N
XLogP0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
CID 64814150
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-(2-hydroxycyclopentyl)-3-oxobutanamide
CID 127002121
N-(2-hydroxycyclohexyl)-2-(prop-2-ynylamino)acetamide
CID 79272522
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
2-(dimethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104969353
N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 62358678

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide?
The IUPAC name of 2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide (CID 146041857) is 2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide?
The canonical SMILES for 2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide is CC(=O)NCC(=O)N[C@H]1CCCCCC[C@@H]1O.
What is the InChIKey of 2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide?
The InChIKey is IKUBNARVTKPGIO-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(15)13-8-12(17)14-10-6-4-2-3-5-7-11(10)16/h10-11,16H,2-8H2,1H3,(H,13,15)(H,14,17)/t10-,11-/m0/s1.
What are the key properties of 2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide?
2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide has a molecular weight of 242.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide is sourced from PubChem (CID 146041857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).