N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide

C20H26N2O2 — CID 109039794

IUPACN-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(CC)c1cccc(C)c1
InChIInChI=1S/C20H26N2O2/c1-4-22(17-10-8-9-16(3)15-17)14-13-20(23)21-18-11-6-7-12-19(18)24-5-2/h6-12,15H,4-5,13-14H2,1-3H3,(H,21,23)
InChIKeyPOMJUCVJXJVGMY-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.25
Rot. Bonds8

About N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide

N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide (PubChem CID 109039794) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
PubChem CID109039794
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(CC)c1cccc(C)c1
InChIInChI=1S/C20H26N2O2/c1-4-22(17-10-8-9-16(3)15-17)14-13-20(23)21-18-11-6-7-12-19(18)24-5-2/h6-12,15H,4-5,13-14H2,1-3H3,(H,21,23)
InChIKeyPOMJUCVJXJVGMY-UHFFFAOYSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2939056
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756
N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109040578
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129639
N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 113145992
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852
3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023305
2-(N-benzyl-3-methylanilino)-N-(2-propoxyphenyl)acetamide
CID 18291286
3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040250
methyl 3-[acetyl-[3-(2-ethoxyanilino)-3-oxopropyl]amino]benzoate
CID 113131429
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996805
3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide (CID 109039794) is N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide is CCOc1ccccc1NC(=O)CCN(CC)c1cccc(C)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide?
The InChIKey is POMJUCVJXJVGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-22(17-10-8-9-16(3)15-17)14-13-20(23)21-18-11-6-7-12-19(18)24-5-2/h6-12,15H,4-5,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide?
N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide has a molecular weight of 326.44 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide is sourced from PubChem (CID 109039794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).