N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C13H22N2O3 — CID 113241307

IUPACN-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H22N2O3/c16-11-4-1-3-10(7-11)8-14-12(17)9-15-6-2-5-13(15)18/h10-11,16H,1-9H2,(H,14,17)
InChIKeyVZJDRIYRDMVNOC-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.28
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 113241307) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID113241307
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H22N2O3/c16-11-4-1-3-10(7-11)8-14-12(17)9-15-6-2-5-13(15)18/h10-11,16H,1-9H2,(H,14,17)
InChIKeyVZJDRIYRDMVNOC-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111459837
N-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131902694
N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 111460220
N-[(2-hydroxycyclopentyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111471342
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131944173
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 95215756
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 79030579
2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511838
N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
3-ethylsulfanyl-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 111460060
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 103769873

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 113241307) is N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is VZJDRIYRDMVNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-11-4-1-3-10(7-11)8-14-12(17)9-15-6-2-5-13(15)18/h10-11,16H,1-9H2,(H,14,17).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 113241307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).