(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

C22H24N2O2 — CID 92709852

IUPAC(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(CNC(=O)C[C@H](c2cccc(C)c2)n2cccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-17-6-5-7-19(14-17)21(24-12-3-4-13-24)15-22(25)23-16-18-8-10-20(26-2)11-9-18/h3-14,21H,15-16H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyJSVNEXQPQFQLQE-OAQYLSRUSA-N
MW348.45 g/mol
LogP4.10
Rot. Bonds7

About (3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709852) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709852
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(CNC(=O)C[C@H](c2cccc(C)c2)n2cccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-17-6-5-7-19(14-17)21(24-12-3-4-13-24)15-22(25)23-16-18-8-10-20(26-2)11-9-18/h3-14,21H,15-16H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyJSVNEXQPQFQLQE-OAQYLSRUSA-N
XLogP4.10
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710145
(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
(3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709429
(3R)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709032
3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
CID 45106963
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709119
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061
(3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709260
3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 46342627
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 92709852) is (3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is COc1ccc(CNC(=O)C[C@H](c2cccc(C)c2)n2cccc2)cc1.
What is the InChIKey of (3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is JSVNEXQPQFQLQE-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17-6-5-7-19(14-17)21(24-12-3-4-13-24)15-22(25)23-16-18-8-10-20(26-2)11-9-18/h3-14,21H,15-16H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of (3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).