N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide

C22H24N2O2 — CID 12005042

IUPACN-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCCc1ccccc1NC(=O)CC(c1ccc(OC)cc1)n1cccc1
InChIInChI=1S/C22H24N2O2/c1-3-17-8-4-5-9-20(17)23-22(25)16-21(24-14-6-7-15-24)18-10-12-19(26-2)13-11-18/h4-15,21H,3,16H2,1-2H3,(H,23,25)
InChIKeyGSLCSOMDEHGGJY-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.68
Rot. Bonds7

About N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide

N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 12005042) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID12005042
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCCc1ccccc1NC(=O)CC(c1ccc(OC)cc1)n1cccc1
InChIInChI=1S/C22H24N2O2/c1-3-17-8-4-5-9-20(17)23-22(25)16-21(24-14-6-7-15-24)18-10-12-19(26-2)13-11-18/h4-15,21H,3,16H2,1-2H3,(H,23,25)
InChIKeyGSLCSOMDEHGGJY-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide (CID 12005042) is N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide is CCc1ccccc1NC(=O)CC(c1ccc(OC)cc1)n1cccc1.
What is the InChIKey of N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is GSLCSOMDEHGGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-17-8-4-5-9-20(17)23-22(25)16-21(24-14-6-7-15-24)18-10-12-19(26-2)13-11-18/h4-15,21H,3,16H2,1-2H3,(H,23,25).
What are the key properties of N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 12005042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).