1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide

C16H28N2O3 — CID 4306438

IUPAC1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOCCN1C(=O)CCC1(C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C16H28N2O3/c1-12-4-6-13(7-5-12)17-15(20)16(2)9-8-14(19)18(16)10-11-21-3/h12-13H,4-11H2,1-3H3,(H,17,20)
InChIKeyJWUYUHPGVFQMJI-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds5

About 1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide

1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 4306438) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID4306438
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOCCN1C(=O)CCC1(C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C16H28N2O3/c1-12-4-6-13(7-5-12)17-15(20)16(2)9-8-14(19)18(16)10-11-21-3/h12-13H,4-11H2,1-3H3,(H,17,20)
InChIKeyJWUYUHPGVFQMJI-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyclohexylmethyl)-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864916
Proline scaffold, 11
CID 42618109
Proline scaffold, 31
CID 42618128
N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxoprolinamide
CID 3241536
N-cyclohexyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361540
N-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361548
(2S)-1-[1-(methylcarbamoyl)cyclohexyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 75411487
(2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide
CID 75411411
N-cyclopentyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361544
N-tert-butyl-1-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361552
N-cyclopentyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 4103169
N-(2-methylcyclohexyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 4411558

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide (CID 4306438) is 1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide is COCCN1C(=O)CCC1(C)C(=O)NC1CCC(C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JWUYUHPGVFQMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-4-6-13(7-5-12)17-15(20)16(2)9-8-14(19)18(16)10-11-21-3/h12-13H,4-11H2,1-3H3,(H,17,20).
What are the key properties of 1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide?
1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 4306438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).