N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide

C15H28N2O2 — CID 79210284

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
SMILESCC1CCCC(O)(CNC(=O)CCN2CCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-13-5-4-7-15(19,11-13)12-16-14(18)6-10-17-8-2-3-9-17/h13,19H,2-12H2,1H3,(H,16,18)
InChIKeyVBOGHOAQQGVDSA-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.53
Rot. Bonds5

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 79210284) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
PubChem CID79210284
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
SMILESCC1CCCC(O)(CNC(=O)CCN2CCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-13-5-4-7-15(19,11-13)12-16-14(18)6-10-17-8-2-3-9-17/h13,19H,2-12H2,1H3,(H,16,18)
InChIKeyVBOGHOAQQGVDSA-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide 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

3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65124105
N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79209328
3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65123625
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79039779
3-(2-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65124351
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65123948
3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 104549990
6-amino-4-ethyl-N-[(1-hydroxy-3-methylcyclohexyl)methyl]hexanamide
CID 65120096
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 65123962

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide (CID 79210284) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide is CC1CCCC(O)(CNC(=O)CCN2CCCC2)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is VBOGHOAQQGVDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13-5-4-7-15(19,11-13)12-16-14(18)6-10-17-8-2-3-9-17/h13,19H,2-12H2,1H3,(H,16,18).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 268.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 79210284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).