N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C16H22N2O3 — CID 46556786

IUPACN-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(c2cccc(OC)c2)C1
InChIInChI=1S/C16H22N2O3/c1-3-4-8-17-16(20)12-9-15(19)18(11-12)13-6-5-7-14(10-13)21-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,20)
InChIKeyZLBONYGRPDUOPO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.96
Rot. Bonds6

About N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46556786) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46556786
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(c2cccc(OC)c2)C1
InChIInChI=1S/C16H22N2O3/c1-3-4-8-17-16(20)12-9-15(19)18(11-12)13-6-5-7-14(10-13)21-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,20)
InChIKeyZLBONYGRPDUOPO-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
(3R)-N-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9376315
(3R)-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375419
3-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl-dimethylazanium
CID 9375428
(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51933605
1-(3-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751538
(3S)-1-(3-methoxyphenyl)-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9376482
N-(3-cyclohexyloxypropyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55556645
N-(2-cyclohexylethyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46548075
1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113188805
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46556786) is N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCNC(=O)C1CC(=O)N(c2cccc(OC)c2)C1.
What is the InChIKey of N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZLBONYGRPDUOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-4-8-17-16(20)12-9-15(19)18(11-12)13-6-5-7-14(10-13)21-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46556786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).