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

C21H22N2O2 — CID 92709170

IUPAC(3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2ccc(C)cc2)n2cccc2)cc1
InChIInChI=1S/C21H22N2O2/c1-16-5-9-18(10-6-16)22-21(24)15-20(23-13-3-4-14-23)17-7-11-19(25-2)12-8-17/h3-14,20H,15H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyMKWJCSZPGABAFP-FQEVSTJZSA-N
MW334.42 g/mol
LogP4.42
Rot. Bonds6

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

(3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709170) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709170
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2ccc(C)cc2)n2cccc2)cc1
InChIInChI=1S/C21H22N2O2/c1-16-5-9-18(10-6-16)22-21(24)15-20(23-13-3-4-14-23)17-7-11-19(25-2)12-8-17/h3-14,20H,15H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyMKWJCSZPGABAFP-FQEVSTJZSA-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

(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092
(3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709083
(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-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide
CID 92710176
(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
(3R)-N-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709163
(3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709311
(3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709071
N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 3697490
(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709594

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 92709170) is (3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide is COc1ccc([C@H](CC(=O)Nc2ccc(C)cc2)n2cccc2)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is MKWJCSZPGABAFP-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-16-5-9-18(10-6-16)22-21(24)15-20(23-13-3-4-14-23)17-7-11-19(25-2)12-8-17/h3-14,20H,15H2,1-2H3,(H,22,24)/t20-/m0/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
(3S)-3-(4-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 (3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).