3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide

C20H26N2O2 — CID 109022011

IUPAC3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCCc1cccc(C)c1NCCC(=O)NCc1ccccc1OC
InChIInChI=1S/C20H26N2O2/c1-4-16-10-7-8-15(2)20(16)21-13-12-19(23)22-14-17-9-5-6-11-18(17)24-3/h5-11,21H,4,12-14H2,1-3H3,(H,22,23)
InChIKeyUDFKRAZVKPDYIR-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.68
Rot. Bonds8

About 3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide

3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 109022011) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID109022011
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCCc1cccc(C)c1NCCC(=O)NCc1ccccc1OC
InChIInChI=1S/C20H26N2O2/c1-4-16-10-7-8-15(2)20(16)21-13-12-19(23)22-14-17-9-5-6-11-18(17)24-3/h5-11,21H,4,12-14H2,1-3H3,(H,22,23)
InChIKeyUDFKRAZVKPDYIR-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethyl-6-methylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019154
3-(2-ethyl-6-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 109036653
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022003
N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 54810086
N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962937
3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023219
N-butyl-3-(2-ethyl-6-methylanilino)propanamide
CID 109012269
3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022024
3-(2,6-diethylanilino)-N-(2-methoxyphenyl)propanamide
CID 109037115
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide
CID 108948559
3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019185

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide (CID 109022011) is 3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide is CCc1cccc(C)c1NCCC(=O)NCc1ccccc1OC.
What is the InChIKey of 3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is UDFKRAZVKPDYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-16-10-7-8-15(2)20(16)21-13-12-19(23)22-14-17-9-5-6-11-18(17)24-3/h5-11,21H,4,12-14H2,1-3H3,(H,22,23).
What are the key properties of 3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide?
3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 109022011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).