N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide

C13H16N2O3 — CID 4994104

IUPACN-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC=CC2)cc(OC)c1
InChIInChI=1S/C13H16N2O3/c1-17-11-7-10(8-12(9-11)18-2)14-13(16)15-5-3-4-6-15/h3-4,7-9H,5-6H2,1-2H3,(H,14,16)
InChIKeyUOYXJADMDNYXEJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.11
Rot. Bonds3

About N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide

N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide (PubChem CID 4994104) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide
PubChem CID4994104
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC=CC2)cc(OC)c1
InChIInChI=1S/C13H16N2O3/c1-17-11-7-10(8-12(9-11)18-2)14-13(16)15-5-3-4-6-15/h3-4,7-9H,5-6H2,1-2H3,(H,14,16)
InChIKeyUOYXJADMDNYXEJ-UHFFFAOYSA-N
XLogP2.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-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

N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032599
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108869457
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide
CID 53297658
N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187588
1-[(3-bromo-5-methoxyphenyl)carbamoyl]azetidine-3-carboxylic acid
CID 82859262
N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591984
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
3-(4-cyclopropyltriazol-1-yl)-N-(3,5-dimethoxyphenyl)azetidine-1-carboxamide
CID 121190251
N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375501

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide (CID 4994104) is N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide is COc1cc(NC(=O)N2CC=CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is UOYXJADMDNYXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-11-7-10(8-12(9-11)18-2)14-13(16)15-5-3-4-6-15/h3-4,7-9H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide?
N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 4994104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).