N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C19H30N2O2 — CID 3244139

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C19H30N2O2/c22-18-13-16(14-21(18)17-9-5-2-6-10-17)19(23)20-12-11-15-7-3-1-4-8-15/h7,16-17H,1-6,8-14H2,(H,20,23)
InChIKeyFFJKXEGVBJBHGL-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.17
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3244139) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3244139
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C19H30N2O2/c22-18-13-16(14-21(18)17-9-5-2-6-10-17)19(23)20-12-11-15-7-3-1-4-8-15/h7,16-17H,1-6,8-14H2,(H,20,23)
InChIKeyFFJKXEGVBJBHGL-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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

3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(4-methylcyclohexyl)propanamide
CID 4795608
N-(2-cyclohex-1-en-1-ylethyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3237655
1-cycloheptyl-N-(2-cyclohex-1-en-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 3243904
N-cyclohexyl-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamide
CID 6463520
N-(2-(cyclohex-1-en-1-yl)ethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3528370
N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 53518678
N-[(3aR,4S,7S,7aR)-2,6-dimethyl-7-(3-methylbut-2-enyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]acetamide
CID 139190727
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 45203359
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 45876789
1-allyl-N-(2-cyclohex-1-en-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 50970016
2-cyclohex-1-en-1-yl-N-[(1-isopropylpyrrolidin-3-yl)methyl]acetamide
CID 56710208
N-[(3S,4R)-1-acetyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-(cyclohexen-1-yl)acetamide
CID 91923208

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 3244139) is N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FFJKXEGVBJBHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c22-18-13-16(14-21(18)17-9-5-2-6-10-17)19(23)20-12-11-15-7-3-1-4-8-15/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-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.17, 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-3-carboxamide is sourced from PubChem (CID 3244139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).