N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide

C22H24N2O2 — CID 46342927

IUPACN-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)CC(c2ccccc2C)n2cccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-26-19-12-10-18(11-13-19)23-22(25)16-21(24-14-6-7-15-24)20-9-5-4-8-17(20)2/h4-15,21H,3,16H2,1-2H3,(H,23,25)
InChIKeyCEASENGYDHTUFY-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.81
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide

N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 46342927) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID46342927
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)CC(c2ccccc2C)n2cccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-26-19-12-10-18(11-13-19)23-22(25)16-21(24-14-6-7-15-24)20-9-5-4-8-17(20)2/h4-15,21H,3,16H2,1-2H3,(H,23,25)
InChIKeyCEASENGYDHTUFY-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide
CID 92710176
(3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709743
(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709401
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130
(3R)-N-(2-chloro-4-methylphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709708
(3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709759
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
3-(carbamoylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methylphenyl)propanamide
CID 87006829
(3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709083
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 46342927) is N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide is CCOc1ccc(NC(=O)CC(c2ccccc2C)n2cccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is CEASENGYDHTUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-26-19-12-10-18(11-13-19)23-22(25)16-21(24-14-6-7-15-24)20-9-5-4-8-17(20)2/h4-15,21H,3,16H2,1-2H3,(H,23,25).
What are the key properties of N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46342927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).