N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide

C21H20N2O4 — CID 46342870

IUPACN-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc(C(CC(=O)Nc2ccc3c(c2)OCO3)n2cccc2)c1
InChIInChI=1S/C21H20N2O4/c1-25-17-6-4-5-15(11-17)18(23-9-2-3-10-23)13-21(24)22-16-7-8-19-20(12-16)27-14-26-19/h2-12,18H,13-14H2,1H3,(H,22,24)
InChIKeyVADYIZHDISPYIQ-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.84
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide

N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 46342870) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID46342870
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc(C(CC(=O)Nc2ccc3c(c2)OCO3)n2cccc2)c1
InChIInChI=1S/C21H20N2O4/c1-25-17-6-4-5-15(11-17)18(23-9-2-3-10-23)13-21(24)22-16-7-8-19-20(12-16)27-14-26-19/h2-12,18H,13-14H2,1H3,(H,22,24)
InChIKeyVADYIZHDISPYIQ-UHFFFAOYSA-N
XLogP3.84
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide 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-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342795
3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615
(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709594
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342799
3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide
CID 46342878
(3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709504
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709119
(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092
N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide (CID 46342870) is N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide is COc1cccc(C(CC(=O)Nc2ccc3c(c2)OCO3)n2cccc2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is VADYIZHDISPYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-25-17-6-4-5-15(11-17)18(23-9-2-3-10-23)13-21(24)22-16-7-8-19-20(12-16)27-14-26-19/h2-12,18H,13-14H2,1H3,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 364.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46342870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).