2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

C14H26N2O2 — CID 78963930

IUPAC2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CC[C@@H](O)C2)CC1
InChIInChI=1S/C14H26N2O2/c1-11-3-5-12(6-4-11)15(2)14(18)10-16-8-7-13(17)9-16/h11-13,17H,3-10H2,1-2H3/t11?,12?,13-/m1/s1
InChIKeyIOVHMILGZULBPT-WXRRBKDZSA-N
MW254.37 g/mol
LogP1.09
Rot. Bonds3

About 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 78963930) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID78963930
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CC[C@@H](O)C2)CC1
InChIInChI=1S/C14H26N2O2/c1-11-3-5-12(6-4-11)15(2)14(18)10-16-8-7-13(17)9-16/h11-13,17H,3-10H2,1-2H3/t11?,12?,13-/m1/s1
InChIKeyIOVHMILGZULBPT-WXRRBKDZSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963664
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 115966781
2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119924043
3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324628
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119926559
2-iodo-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 64786622
N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 129494486
N-methyl-N-(4-methylcyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 55409131
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 81458982
2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 126822796
1-(3-hydroxypyrrolidin-1-yl)propan-2-one
CID 23388482

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 78963930) is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)CN2CC[C@@H](O)C2)CC1.
What is the InChIKey of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is IOVHMILGZULBPT-WXRRBKDZSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-3-5-12(6-4-11)15(2)14(18)10-16-8-7-13(17)9-16/h11-13,17H,3-10H2,1-2H3/t11?,12?,13-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 78963930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).