N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide

C21H22N2O3 — CID 12004864

IUPACN-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccccc2OC)n2cccc2)cc1
InChIInChI=1S/C21H22N2O3/c1-25-17-11-9-16(10-12-17)19(23-13-5-6-14-23)15-21(24)22-18-7-3-4-8-20(18)26-2/h3-14,19H,15H2,1-2H3,(H,22,24)
InChIKeyHXCBOBGZDZBWSM-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.12
Rot. Bonds7

About N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide

N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 12004864) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID12004864
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccccc2OC)n2cccc2)cc1
InChIInChI=1S/C21H22N2O3/c1-25-17-11-9-16(10-12-17)19(23-13-5-6-14-23)15-21(24)22-18-7-3-4-8-20(18)26-2/h3-14,19H,15H2,1-2H3,(H,22,24)
InChIKeyHXCBOBGZDZBWSM-UHFFFAOYSA-N
XLogP4.12
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide (CID 12004864) is N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide is COc1ccc(C(CC(=O)Nc2ccccc2OC)n2cccc2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is HXCBOBGZDZBWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-17-11-9-16(10-12-17)19(23-13-5-6-14-23)15-21(24)22-18-7-3-4-8-20(18)26-2/h3-14,19H,15H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 12004864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).