2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

C16H30N2O2 — CID 115966781

IUPAC2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCC(C(C)O)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-12-4-6-15(7-5-12)17(3)16(20)11-18-9-8-14(10-18)13(2)19/h12-15,19H,4-11H2,1-3H3
InChIKeyRZKBHEVXSWAHHP-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.73
Rot. Bonds4

About 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 115966781) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID115966781
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCC(C(C)O)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-12-4-6-15(7-5-12)17(3)16(20)11-18-9-8-14(10-18)13(2)19/h12-15,19H,4-11H2,1-3H3
InChIKeyRZKBHEVXSWAHHP-UHFFFAOYSA-N
XLogP1.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 115966781) is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)CN2CCC(C(C)O)C2)CC1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is RZKBHEVXSWAHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-4-6-15(7-5-12)17(3)16(20)11-18-9-8-14(10-18)13(2)19/h12-15,19H,4-11H2,1-3H3.
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 282.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 115966781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).