N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H26N2O2 — CID 47080714

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NCC2CC=CCC2)CC1=O
InChIInChI=1S/C20H26N2O2/c1-2-16-10-6-7-11-18(16)22-14-17(12-19(22)23)20(24)21-13-15-8-4-3-5-9-15/h3-4,6-7,10-11,15,17H,2,5,8-9,12-14H2,1H3,(H,21,24)
InChIKeyFSZHFBNOLCNSPJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.07
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 47080714) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID47080714
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NCC2CC=CCC2)CC1=O
InChIInChI=1S/C20H26N2O2/c1-2-16-10-6-7-11-18(16)22-14-17(12-19(22)23)20(24)21-13-15-8-4-3-5-9-15/h3-4,6-7,10-11,15,17H,2,5,8-9,12-14H2,1H3,(H,21,24)
InChIKeyFSZHFBNOLCNSPJ-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.07
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

N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 48874740
N-[2-(ethylamino)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119507215
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55408232
1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120827980
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983
1-(2-ethylphenyl)-5-oxo-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 134037352
N-(2-amino-2-phenylethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119528627
N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119548686
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 47080714) is N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)NCC2CC=CCC2)CC1=O.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FSZHFBNOLCNSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-16-10-6-7-11-18(16)22-14-17(12-19(22)23)20(24)21-13-15-8-4-3-5-9-15/h3-4,6-7,10-11,15,17H,2,5,8-9,12-14H2,1H3,(H,21,24).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47080714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).