(3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide

C22H22N2O3 — CID 92709083

IUPAC(3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)n2cccc2)cc1
InChIInChI=1S/C22H22N2O3/c1-16(25)17-5-9-19(10-6-17)23-22(26)15-21(24-13-3-4-14-24)18-7-11-20(27-2)12-8-18/h3-14,21H,15H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyZNEMSYBHCZFGGM-OAQYLSRUSA-N
MW362.43 g/mol
LogP4.32
Rot. Bonds7

About (3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide

(3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709083) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709083
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name(3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)n2cccc2)cc1
InChIInChI=1S/C22H22N2O3/c1-16(25)17-5-9-19(10-6-17)23-22(26)15-21(24-13-3-4-14-24)18-7-11-20(27-2)12-8-18/h3-14,21H,15H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyZNEMSYBHCZFGGM-OAQYLSRUSA-N
XLogP4.32
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092
(3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709170
(3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide
CID 92710176
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-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709311
(3R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropan-1-one
CID 92709137
(3R)-N-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709163
(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 46342627
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide (CID 92709083) is (3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide is COc1ccc([C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)n2cccc2)cc1.
What is the InChIKey of (3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is ZNEMSYBHCZFGGM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-16(25)17-5-9-19(10-6-17)23-22(26)15-21(24-13-3-4-14-24)18-7-11-20(27-2)12-8-18/h3-14,21H,15H2,1-2H3,(H,23,26)/t21-/m1/s1.
What are the key properties of (3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
(3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 362.43 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).