N-(2,3-dimethoxy-4-oxocyclohexyl)acetamide

C10H17NO4 — CID 538350

IUPACN-(2,3-dimethoxy-4-oxocyclohexyl)acetamide
SMILESCOC1C(=O)CCC(NC(C)=O)C1OC
InChIInChI=1S/C10H17NO4/c1-6(12)11-7-4-5-8(13)10(15-3)9(7)14-2/h7,9-10H,4-5H2,1-3H3,(H,11,12)
InChIKeyTWMKFXRMYOBOPJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.12
Rot. Bonds3

About N-(2,3-dimethoxy-4-oxocyclohexyl)acetamide

N-(2,3-dimethoxy-4-oxocyclohexyl)acetamide (PubChem CID 538350) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(2,3-dimethoxy-4-oxocyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethoxy-4-oxocyclohexyl)acetamide
PubChem CID538350
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC NameN-(2,3-dimethoxy-4-oxocyclohexyl)acetamide
SMILESCOC1C(=O)CCC(NC(C)=O)C1OC
InChIInChI=1S/C10H17NO4/c1-6(12)11-7-4-5-8(13)10(15-3)9(7)14-2/h7,9-10H,4-5H2,1-3H3,(H,11,12)
InChIKeyTWMKFXRMYOBOPJ-UHFFFAOYSA-N
XLogP-0.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyoxan-3-yl)acetamide
CID 157037977
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703
trans-(1S,2S)-2-methoxy-3-oxocyclohexane-1-carboxylic acid
CID 10773514
methyl 2-acetamidocyclobutane-1-carboxylate
CID 163622472
N-[(1R,3R)-3-bromo-4-oxocyclohexyl]acetamide
CID 97107697
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482
(4S,5S,8R,9S,10R,13S,14S)-4-methoxy-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 155350133
N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide
CID 162401417
N-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]acetamide
CID 130909390
N-[(1R,2S,4R,5S)-2,4-dimethoxy-6-oxabicyclo[3.1.0]hexan-3-yl]acetamide
CID 10821940
3-bromo-2-methoxycyclohexan-1-one
CID 10375716
N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 70619318

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxy-4-oxocyclohexyl)acetamide?
The IUPAC name of N-(2,3-dimethoxy-4-oxocyclohexyl)acetamide (CID 538350) is N-(2,3-dimethoxy-4-oxocyclohexyl)acetamide.
What is the SMILES notation for N-(2,3-dimethoxy-4-oxocyclohexyl)acetamide?
The canonical SMILES for N-(2,3-dimethoxy-4-oxocyclohexyl)acetamide is COC1C(=O)CCC(NC(C)=O)C1OC.
What is the InChIKey of N-(2,3-dimethoxy-4-oxocyclohexyl)acetamide?
The InChIKey is TWMKFXRMYOBOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(12)11-7-4-5-8(13)10(15-3)9(7)14-2/h7,9-10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-(2,3-dimethoxy-4-oxocyclohexyl)acetamide?
N-(2,3-dimethoxy-4-oxocyclohexyl)acetamide has a molecular weight of 215.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxy-4-oxocyclohexyl)acetamide is sourced from PubChem (CID 538350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).