3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide

C20H26N2O2 — CID 109025532

IUPAC3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCCN(CCC(=O)NCCc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-3-22(18-9-5-4-6-10-18)15-13-20(23)21-14-12-17-8-7-11-19(16-17)24-2/h4-11,16H,3,12-15H2,1-2H3,(H,21,23)
InChIKeyOCKWVGSQSXWORK-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.27
Rot. Bonds9

About 3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide

3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 109025532) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID109025532
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCCN(CCC(=O)NCCc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-3-22(18-9-5-4-6-10-18)15-13-20(23)21-14-12-17-8-7-11-19(16-17)24-2/h4-11,16H,3,12-15H2,1-2H3,(H,21,23)
InChIKeyOCKWVGSQSXWORK-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(N-ethylanilino)propyl]-2-(3-methoxyphenyl)acetamide
CID 18118732
N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110
3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113131113
4-(2,2-dimethylhydrazinyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 166390750
3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 107843104
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 109025532) is 3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide is CCN(CCC(=O)NCCc1cccc(OC)c1)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is OCKWVGSQSXWORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-22(18-9-5-4-6-10-18)15-13-20(23)21-14-12-17-8-7-11-19(16-17)24-2/h4-11,16H,3,12-15H2,1-2H3,(H,21,23).
What are the key properties of 3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109025532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).