N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide

C14H24N2O3 — CID 45250824

IUPACN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-19-10-13(17)15-12-7-14(18)16(9-12)8-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyRVJVTYKLYKKMJR-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds5

About N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide

N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 45250824) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID45250824
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C14H24N2O3/c1-19-10-13(17)15-12-7-14(18)16(9-12)8-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyRVJVTYKLYKKMJR-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide (CID 45250824) is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide is COCC(=O)NC1CC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is RVJVTYKLYKKMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-19-10-13(17)15-12-7-14(18)16(9-12)8-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide?
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 268.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 45250824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).