1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide

C17H24N2O3 — CID 46581289

IUPAC1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1ccc(N2CC(C(=O)NOCC)CC2=O)cc1
InChIInChI=1S/C17H24N2O3/c1-3-5-6-13-7-9-15(10-8-13)19-12-14(11-16(19)20)17(21)18-22-4-2/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,21)
InChIKeyDYNILLZDNZTKFV-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.45
Rot. Bonds7

About 1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide

1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide (PubChem CID 46581289) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
PubChem CID46581289
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1ccc(N2CC(C(=O)NOCC)CC2=O)cc1
InChIInChI=1S/C17H24N2O3/c1-3-5-6-13-7-9-15(10-8-13)19-12-14(11-16(19)20)17(21)18-22-4-2/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,21)
InChIKeyDYNILLZDNZTKFV-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-butylphenyl)-N-ethoxy-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-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47160631
N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107620
1-(4-butylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 46585953
ethyl 5-[[1-(4-butylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 108761566
1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 23905377
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983
1-(4-butylphenyl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952897
1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55578705
(2-chlorophenyl)methyl 1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3400881
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 119523528
N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119628581
(3-bromophenyl)methyl 1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3404462

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide (CID 46581289) is 1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide is CCCCc1ccc(N2CC(C(=O)NOCC)CC2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DYNILLZDNZTKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-5-6-13-7-9-15(10-8-13)19-12-14(11-16(19)20)17(21)18-22-4-2/h7-10,14H,3-6,11-12H2,1-2H3,(H,18,21).
What are the key properties of 1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide?
1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46581289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).