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

C21H22N2O2 — CID 46343061

IUPACN-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccccc1NC(=O)CC(c1cccc(C)c1)n1cccc1
InChIInChI=1S/C21H22N2O2/c1-16-8-7-9-17(14-16)19(23-12-5-6-13-23)15-21(24)22-18-10-3-4-11-20(18)25-2/h3-14,19H,15H2,1-2H3,(H,22,24)
InChIKeyILWBJXLGFKAVIS-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.42
Rot. Bonds6

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

N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 46343061) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID46343061
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccccc1NC(=O)CC(c1cccc(C)c1)n1cccc1
InChIInChI=1S/C21H22N2O2/c1-16-8-7-9-17(14-16)19(23-12-5-6-13-23)15-21(24)22-18-10-3-4-11-20(18)25-2/h3-14,19H,15H2,1-2H3,(H,22,24)
InChIKeyILWBJXLGFKAVIS-UHFFFAOYSA-N
XLogP4.42
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
(3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708984
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709595
(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709355
(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709852
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615
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
(3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710105
(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 92709799
(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709525

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 46343061) is N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is COc1ccccc1NC(=O)CC(c1cccc(C)c1)n1cccc1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is ILWBJXLGFKAVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-16-8-7-9-17(14-16)19(23-12-5-6-13-23)15-21(24)22-18-10-3-4-11-20(18)25-2/h3-14,19H,15H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46343061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).