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

C22H24N2O2 — CID 92709743

IUPAC(3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCCOc1ccccc1NC(=O)C[C@@H](c1ccccc1C)n1cccc1
InChIInChI=1S/C22H24N2O2/c1-3-26-21-13-7-6-12-19(21)23-22(25)16-20(24-14-8-9-15-24)18-11-5-4-10-17(18)2/h4-15,20H,3,16H2,1-2H3,(H,23,25)/t20-/m0/s1
InChIKeyHFGKEHOKMBDSEJ-FQEVSTJZSA-N
MW348.45 g/mol
LogP4.81
Rot. Bonds7

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

(3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709743) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709743
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCCOc1ccccc1NC(=O)C[C@@H](c1ccccc1C)n1cccc1
InChIInChI=1S/C22H24N2O2/c1-3-26-21-13-7-6-12-19(21)23-22(25)16-20(24-14-8-9-15-24)18-11-5-4-10-17(18)2/h4-15,20H,3,16H2,1-2H3,(H,23,25)/t20-/m0/s1
InChIKeyHFGKEHOKMBDSEJ-FQEVSTJZSA-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

N-(4-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342927
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342666
(3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708984
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 834898
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
CID 174193763
CID 174193763
N-(2-ethoxyphenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358452
N-(2-ethoxyphenyl)-2-(3-methylbutylamino)acetamide
CID 109005835
N-[2-(2-ethoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998801

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 92709743) is (3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide is CCOc1ccccc1NC(=O)C[C@@H](c1ccccc1C)n1cccc1.
What is the InChIKey of (3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is HFGKEHOKMBDSEJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-26-21-13-7-6-12-19(21)23-22(25)16-20(24-14-8-9-15-24)18-11-5-4-10-17(18)2/h4-15,20H,3,16H2,1-2H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
(3S)-N-(2-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 (3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).