N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C13H22N2O3 — CID 64866787

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H22N2O3/c16-11(9-15-8-4-5-12(15)17)14-10-13(18)6-2-1-3-7-13/h18H,1-10H2,(H,14,16)
InChIKeyGLDMUNQQJISWPJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.42
Rot. Bonds4

About N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 64866787) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID64866787
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H22N2O3/c16-11(9-15-8-4-5-12(15)17)14-10-13(18)6-2-1-3-7-13/h18H,1-10H2,(H,14,16)
InChIKeyGLDMUNQQJISWPJ-UHFFFAOYSA-N
XLogP0.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)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-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 71782113
N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71989600
1-[(1-Hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 85727890
2-[(1-hydroxycyclohexyl)methylamino]-N,N-dimethylacetamide
CID 19417695
(2R)-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60053682
5,5-Diethyl-3-[(1-hydroxycyclohexyl)methyl]imidazolidine-2,4-dione
CID 47395695
2-(2,5-dioxopyrrolidin-1-yl)-N-((1-hydroxycyclopentyl)methyl)acetamide
CID 49717965
N-cyclopentyl-2-{[(1-hydroxycyclohexyl)methyl]amino}propanamide
CID 50960338
(2S,4R)-4-amino-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 50963847
2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide
CID 54953981
2-{[(1-Hydroxycyclohexyl)methyl]amino}acetamide
CID 60899404
2-[(1-hydroxycyclohexyl)methylamino]-N-methylacetamide
CID 60901416

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 64866787) is N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is GLDMUNQQJISWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-11(9-15-8-4-5-12(15)17)14-10-13(18)6-2-1-3-7-13/h18H,1-10H2,(H,14,16).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 64866787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).