N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide

C13H21NO3 — CID 65155572

IUPACN-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide
SMILESO=C1CCC(NC(=O)CCC2CCCO2)CC1
InChIInChI=1S/C13H21NO3/c15-11-5-3-10(4-6-11)14-13(16)8-7-12-2-1-9-17-12/h10,12H,1-9H2,(H,14,16)
InChIKeyMANIBFAOMFOKDC-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.57
Rot. Bonds4

About N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide

N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide (PubChem CID 65155572) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide
PubChem CID65155572
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide
SMILESO=C1CCC(NC(=O)CCC2CCCO2)CC1
InChIInChI=1S/C13H21NO3/c15-11-5-3-10(4-6-11)14-13(16)8-7-12-2-1-9-17-12/h10,12H,1-9H2,(H,14,16)
InChIKeyMANIBFAOMFOKDC-UHFFFAOYSA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 51728648
3-(oxan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386884
N-(3-methylcyclopentyl)-3-(oxolan-2-yl)propanamide
CID 114549731
cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320914
3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66030722
N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide
CID 94097831
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide
CID 47031038
N-(2-methylpiperidin-4-yl)-3-(oxan-2-yl)propanamide
CID 106995469
2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide
CID 167992949
N-(2-bromocyclopentyl)-3-(oxolan-2-yl)propanamide
CID 80661636
4-[3-(oxolan-2-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66222668

Frequently Asked Questions

What is the IUPAC name of N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide (CID 65155572) is N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide is O=C1CCC(NC(=O)CCC2CCCO2)CC1.
What is the InChIKey of N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is MANIBFAOMFOKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-11-5-3-10(4-6-11)14-13(16)8-7-12-2-1-9-17-12/h10,12H,1-9H2,(H,14,16).
What are the key properties of N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide?
N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 239.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 65155572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).