3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide

C20H26N2O2 — CID 109025525

IUPAC3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCNc2ccc(C)cc2C)c1
InChIInChI=1S/C20H26N2O2/c1-15-7-8-19(16(2)13-15)21-12-10-20(23)22-11-9-17-5-4-6-18(14-17)24-3/h4-8,13-14,21H,9-12H2,1-3H3,(H,22,23)
InChIKeyWHJTVEPGPGIHDQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.47
Rot. Bonds8

About 3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide

3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 109025525) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID109025525
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCNc2ccc(C)cc2C)c1
InChIInChI=1S/C20H26N2O2/c1-15-7-8-19(16(2)13-15)21-12-10-20(23)22-11-9-17-5-4-6-18(14-17)24-3/h4-8,13-14,21H,9-12H2,1-3H3,(H,22,23)
InChIKeyWHJTVEPGPGIHDQ-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylanilino)propanamide
CID 109027746
2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001108
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113124161
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide
CID 109033246
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 86673951
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 75513079
3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025597
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 109025525) is 3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(CCNC(=O)CCNc2ccc(C)cc2C)c1.
What is the InChIKey of 3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is WHJTVEPGPGIHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-7-8-19(16(2)13-15)21-12-10-20(23)22-11-9-17-5-4-6-18(14-17)24-3/h4-8,13-14,21H,9-12H2,1-3H3,(H,22,23).
What are the key properties of 3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109025525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).