N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide

C19H30N2O2 — CID 4217997

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C19H30N2O2/c22-18-12-11-17(21(18)16-9-5-2-6-10-16)19(23)20-14-13-15-7-3-1-4-8-15/h7,16-17H,1-6,8-14H2,(H,20,23)
InChIKeyRPLJQMMYJFOGLU-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 4217997) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide
PubChem CID4217997
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C19H30N2O2/c22-18-12-11-17(21(18)16-9-5-2-6-10-16)19(23)20-14-13-15-7-3-1-4-8-15/h7,16-17H,1-6,8-14H2,(H,20,23)
InChIKeyRPLJQMMYJFOGLU-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclohex-1-en-1-ylethyl)-N-cyclopentyl-2-methyl-5-oxoprolinamide
CID 3237705
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-cyclohexylethanediamide
CID 2916009
N-cycloheptyl-1-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 5216501
1-[2-(Cyclohex-1-EN-1-YL)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 22429072
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 164633651
(E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide
CID 134847370
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343835
(2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide
CID 120963254
(2S,4R)-1-[2-(cyclohexen-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 120965543
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide
CID 128974374
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 4100367
N-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 16287212

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide (CID 4217997) is N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide is O=C(NCCC1=CCCCC1)C1CCC(=O)N1C1CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RPLJQMMYJFOGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c22-18-12-11-17(21(18)16-9-5-2-6-10-16)19(23)20-14-13-15-7-3-1-4-8-15/h7,16-17H,1-6,8-14H2,(H,20,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 4217997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).