1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide

C16H21N3O3 — CID 4998458

IUPAC1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CCCN1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C16H21N3O3/c1-3-9-17-15(20)14-8-5-10-19(14)16(21)18-12-6-4-7-13(11-12)22-2/h3-4,6-7,11,14H,1,5,8-10H2,2H3,(H,17,20)(H,18,21)
InChIKeyFLQWPSKMANALRZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.99
Rot. Bonds5

About 1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide

1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide (PubChem CID 4998458) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
PubChem CID4998458
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CCCN1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C16H21N3O3/c1-3-9-17-15(20)14-8-5-10-19(14)16(21)18-12-6-4-7-13(11-12)22-2/h3-4,6-7,11,14H,1,5,8-10H2,2H3,(H,17,20)(H,18,21)
InChIKeyFLQWPSKMANALRZ-UHFFFAOYSA-N
XLogP1.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide 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

(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
1-N-(3-methoxyphenyl)-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 646616
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
(2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 7420601
(2R)-1-N-(3-methoxyphenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 1433427
(2R)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 7420605
(2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 7406182
(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433458
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433453

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide (CID 4998458) is 1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide is C=CCNC(=O)C1CCCN1C(=O)Nc1cccc(OC)c1.
What is the InChIKey of 1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide?
The InChIKey is FLQWPSKMANALRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-9-17-15(20)14-8-5-10-19(14)16(21)18-12-6-4-7-13(11-12)22-2/h3-4,6-7,11,14H,1,5,8-10H2,2H3,(H,17,20)(H,18,21).
What are the key properties of 1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide?
1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 4998458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).