N-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide

C21H22N2O3 — CID 6619890

IUPACN-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESCOc1cc(NC(=O)C(Cc2ccccc2)n2cccc2)cc(OC)c1
InChIInChI=1S/C21H22N2O3/c1-25-18-13-17(14-19(15-18)26-2)22-21(24)20(23-10-6-7-11-23)12-16-8-4-3-5-9-16/h3-11,13-15,20H,12H2,1-2H3,(H,22,24)
InChIKeyPJIKDLKRGZNDKI-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.93
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide

N-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide (PubChem CID 6619890) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide
PubChem CID6619890
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESCOc1cc(NC(=O)C(Cc2ccccc2)n2cccc2)cc(OC)c1
InChIInChI=1S/C21H22N2O3/c1-25-18-13-17(14-19(15-18)26-2)22-21(24)20(23-10-6-7-11-23)12-16-8-4-3-5-9-16/h3-11,13-15,20H,12H2,1-2H3,(H,22,24)
InChIKeyPJIKDLKRGZNDKI-UHFFFAOYSA-N
XLogP3.93
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[4-(1H-pyrrol-1-yl)benzyl]benzamide
CID 4919620
N-(3-methoxybenzyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 6623034
N-(2,4-dimethoxyphenyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 16010644
N-(4-methoxybenzyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 16194135
1-(2,4-dimethoxybenzyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)prolinamide
CID 3236022
N-(3-methoxyphenyl)-2-(1-methyl-3-indolyl)acetamide
CID 3245350
2-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 3461826
1-[4-(4-Methoxyphenyl)piperazin-1-YL]-3-phenyl-2-(1H-pyrrol-1-YL)propan-1-one
CID 5307622
N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide
CID 6623491
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide
CID 12004864
N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide
CID 12005042
N'-(3-Methoxyphenyl)-N-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017304

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide (CID 6619890) is N-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide is COc1cc(NC(=O)C(Cc2ccccc2)n2cccc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide?
The InChIKey is PJIKDLKRGZNDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-18-13-17(14-19(15-18)26-2)22-21(24)20(23-10-6-7-11-23)12-16-8-4-3-5-9-16/h3-11,13-15,20H,12H2,1-2H3,(H,22,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide?
N-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 6619890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).