N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide

C20H24N2O3 — CID 2085359

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCOc2cccc(C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-7-9-17(10-8-15)21-19(23)14-22(3)20(24)11-12-25-18-6-4-5-16(2)13-18/h4-10,13H,11-12,14H2,1-3H3,(H,21,23)
InChIKeyOYBPIHQVUGZEOD-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.17
Rot. Bonds7

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide (PubChem CID 2085359) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide
PubChem CID2085359
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCOc2cccc(C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-7-9-17(10-8-15)21-19(23)14-22(3)20(24)11-12-25-18-6-4-5-16(2)13-18/h4-10,13H,11-12,14H2,1-3H3,(H,21,23)
InChIKeyOYBPIHQVUGZEOD-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide (CID 2085359) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide is Cc1ccc(NC(=O)CN(C)C(=O)CCOc2cccc(C)c2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is OYBPIHQVUGZEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-7-9-17(10-8-15)21-19(23)14-22(3)20(24)11-12-25-18-6-4-5-16(2)13-18/h4-10,13H,11-12,14H2,1-3H3,(H,21,23).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 340.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2085359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).