N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C19H24N2O3 — CID 48874740

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCC3CC=CCC3)CC2=O)cc1
InChIInChI=1S/C19H24N2O3/c1-24-17-9-7-16(8-10-17)21-13-15(11-18(21)22)19(23)20-12-14-5-3-2-4-6-14/h2-3,7-10,14-15H,4-6,11-13H2,1H3,(H,20,23)
InChIKeyVVKCTCYIIVVSSR-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.52
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 48874740) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID48874740
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCC3CC=CCC3)CC2=O)cc1
InChIInChI=1S/C19H24N2O3/c1-24-17-9-7-16(8-10-17)21-13-15(11-18(21)22)19(23)20-12-14-5-3-2-4-6-14/h2-3,7-10,14-15H,4-6,11-13H2,1H3,(H,20,23)
InChIKeyVVKCTCYIIVVSSR-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 122174403
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 16918345
N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 47080714
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 17309359
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249977

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 48874740) is N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCC3CC=CCC3)CC2=O)cc1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VVKCTCYIIVVSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-24-17-9-7-16(8-10-17)21-13-15(11-18(21)22)19(23)20-12-14-5-3-2-4-6-14/h2-3,7-10,14-15H,4-6,11-13H2,1H3,(H,20,23).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 48874740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).