N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide

C14H25NO2 — CID 51728648

IUPACN-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide
SMILESCC1CCC(NC(=O)CC[C@H]2CCCO2)CC1
InChIInChI=1S/C14H25NO2/c1-11-4-6-12(7-5-11)15-14(16)9-8-13-3-2-10-17-13/h11-13H,2-10H2,1H3,(H,15,16)/t11?,12?,13-/m1/s1
InChIKeyJZFRBHGURGZSCB-WXRRBKDZSA-N
MW239.36 g/mol
LogP2.64
Rot. Bonds4

About N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide

N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 51728648) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID51728648
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide
SMILESCC1CCC(NC(=O)CC[C@H]2CCCO2)CC1
InChIInChI=1S/C14H25NO2/c1-11-4-6-12(7-5-11)15-14(16)9-8-13-3-2-10-17-13/h11-13H,2-10H2,1H3,(H,15,16)/t11?,12?,13-/m1/s1
InChIKeyJZFRBHGURGZSCB-WXRRBKDZSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylcyclopentyl)-3-(oxolan-2-yl)propanamide
CID 114549731
N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide
CID 65155572
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
3-(oxan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386884
N-(2-methylpiperidin-4-yl)-3-(oxan-2-yl)propanamide
CID 106995469
N-(4-methylcyclohexyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825193
N-(2-bromocyclopentyl)-3-(oxolan-2-yl)propanamide
CID 80661636
4-[3-(oxolan-2-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66222668
N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 65156261
N-(3-methylpiperidin-4-yl)-3-(oxolan-2-yl)propanamide;hydrochloride
CID 120557577

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide (CID 51728648) is N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide is CC1CCC(NC(=O)CC[C@H]2CCCO2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is JZFRBHGURGZSCB-WXRRBKDZSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-4-6-12(7-5-11)15-14(16)9-8-13-3-2-10-17-13/h11-13H,2-10H2,1H3,(H,15,16)/t11?,12?,13-/m1/s1.
What are the key properties of N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide?
N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide has a molecular weight of 239.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 51728648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).