N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide

C23H30N2O3 — CID 23859165

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(CCC1=CCCCC1)C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C23H30N2O3/c1-16(2)19-9-11-20(12-10-19)25-22(27)15-21(23(25)28)24(17(3)26)14-13-18-7-5-4-6-8-18/h7,9-12,16,21H,4-6,8,13-15H2,1-3H3
InChIKeyAQSAXIXMZVKBKF-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.18
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide (PubChem CID 23859165) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide
PubChem CID23859165
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(CCC1=CCCCC1)C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C23H30N2O3/c1-16(2)19-9-11-20(12-10-19)25-22(27)15-21(23(25)28)24(17(3)26)14-13-18-7-5-4-6-8-18/h7,9-12,16,21H,4-6,8,13-15H2,1-3H3
InChIKeyAQSAXIXMZVKBKF-UHFFFAOYSA-N
XLogP4.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 23998954
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23915042
[4-[3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23886978
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 23802075
N-[2-(3-chlorophenyl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide
CID 23802024
N-[2-(cyclohexen-1-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23859261
N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-methylbenzamide
CID 23972636
N-[2-(cyclohexen-1-yl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide
CID 23888489
N-[2-(cyclohexen-1-yl)ethyl]-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide
CID 23860842
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]-2-phenoxyacetamide
CID 23915120
methyl 4-[3-[2-(cyclohexen-1-yl)ethyl-(thiophene-2-carbonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23743911
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-phenylethyl)acetamide
CID 3109144

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide (CID 23859165) is N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide is CC(=O)N(CCC1=CCCCC1)C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide?
The InChIKey is AQSAXIXMZVKBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16(2)19-9-11-20(12-10-19)25-22(27)15-21(23(25)28)24(17(3)26)14-13-18-7-5-4-6-8-18/h7,9-12,16,21H,4-6,8,13-15H2,1-3H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide has a molecular weight of 382.50 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 23859165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).