1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide

C25H39N3O2 — CID 15992440

IUPAC1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CCCNC(=O)C1CC(=O)N(C2CCCCCCC2)C1)c1cccc(C)c1
InChIInChI=1S/C25H39N3O2/c1-3-27(23-14-9-11-20(2)17-23)16-10-15-26-25(30)21-18-24(29)28(19-21)22-12-7-5-4-6-8-13-22/h9,11,14,17,21-22H,3-8,10,12-13,15-16,18-19H2,1-2H3,(H,26,30)
InChIKeyNCUNBUZXOWGXBJ-UHFFFAOYSA-N
MW413.61 g/mol
LogP4.29
Rot. Bonds8

About 1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide

1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 15992440) has the molecular formula C25H39N3O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is 1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID15992440
Molecular FormulaC25H39N3O2
Molecular Weight413.61 g/mol
Exact Mass413.30
IUPAC Name1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CCCNC(=O)C1CC(=O)N(C2CCCCCCC2)C1)c1cccc(C)c1
InChIInChI=1S/C25H39N3O2/c1-3-27(23-14-9-11-20(2)17-23)16-10-15-26-25(30)21-18-24(29)28(19-21)22-12-7-5-4-6-8-13-22/h9,11,14,17,21-22H,3-8,10,12-13,15-16,18-19H2,1-2H3,(H,26,30)
InChIKeyNCUNBUZXOWGXBJ-UHFFFAOYSA-N
XLogP4.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide 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

1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide
CID 72860260
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
N-[3-(dimethylamino)propyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120540
(3R)-1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97147855
1-cyclohexyl-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110627054
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
(3S,4S)-2-cyclohexyl-N-[3-(N-ethyl-3-methylanilino)propyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 98177681
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(N-ethylanilino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 46419537
1-cyclopentyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55381016

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide (CID 15992440) is 1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide is CCN(CCCNC(=O)C1CC(=O)N(C2CCCCCCC2)C1)c1cccc(C)c1.
What is the InChIKey of 1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NCUNBUZXOWGXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O2/c1-3-27(23-14-9-11-20(2)17-23)16-10-15-26-25(30)21-18-24(29)28(19-21)22-12-7-5-4-6-8-13-22/h9,11,14,17,21-22H,3-8,10,12-13,15-16,18-19H2,1-2H3,(H,26,30).
What are the key properties of 1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 413.61 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 15992440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).