2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide

C15H28N2O2 — CID 102788580

IUPAC2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN2CCC(C)C2CO)CC1
InChIInChI=1S/C15H28N2O2/c1-11-3-5-13(6-4-11)16-15(19)9-17-8-7-12(2)14(17)10-18/h11-14,18H,3-10H2,1-2H3,(H,16,19)
InChIKeyKEBNLBOUFWBDOS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.38
Rot. Bonds4

About 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide

2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 102788580) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID102788580
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN2CCC(C)C2CO)CC1
InChIInChI=1S/C15H28N2O2/c1-11-3-5-13(6-4-11)16-15(19)9-17-8-7-12(2)14(17)10-18/h11-14,18H,3-10H2,1-2H3,(H,16,19)
InChIKeyKEBNLBOUFWBDOS-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-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

Related Compounds

N-(tert-butylcarbamoyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102787643
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 102788347
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 102787948
N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788921
N-(2,6-dichlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788684
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide
CID 63840502
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 63248834
N-(1-cyanocycloheptyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102789059
4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide
CID 102788938
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102787968
3-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 90305092
2-(2,5-dimethylpiperazin-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 64980306

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide (CID 102788580) is 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CN2CCC(C)C2CO)CC1.
What is the InChIKey of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is KEBNLBOUFWBDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-3-5-13(6-4-11)16-15(19)9-17-8-7-12(2)14(17)10-18/h11-14,18H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 102788580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).