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

C21H22N2O2 — CID 46342886

IUPAC3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc(C(CC(=O)Nc2ccc(C)cc2)n2cccc2)c1
InChIInChI=1S/C21H22N2O2/c1-16-8-10-18(11-9-16)22-21(24)15-20(23-12-3-4-13-23)17-6-5-7-19(14-17)25-2/h3-14,20H,15H2,1-2H3,(H,22,24)
InChIKeyUCQSMTBXBXTMIX-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.42
Rot. Bonds6

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

3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 46342886) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID46342886
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc(C(CC(=O)Nc2ccc(C)cc2)n2cccc2)c1
InChIInChI=1S/C21H22N2O2/c1-16-8-10-18(11-9-16)22-21(24)15-20(23-12-3-4-13-23)17-6-5-7-19(14-17)25-2/h3-14,20H,15H2,1-2H3,(H,22,24)
InChIKeyUCQSMTBXBXTMIX-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)-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)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709170
(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709594
(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 46342870
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092
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)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709525
N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 46342886) is 3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide is COc1cccc(C(CC(=O)Nc2ccc(C)cc2)n2cccc2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is UCQSMTBXBXTMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-16-8-10-18(11-9-16)22-21(24)15-20(23-12-3-4-13-23)17-6-5-7-19(14-17)25-2/h3-14,20H,15H2,1-2H3,(H,22,24).
What are the key properties of 3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
3-(3-methoxyphenyl)-N-(4-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 3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46342886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).