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

C20H24N2O3 — CID 9492849

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCOc2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-4-8-17(9-5-15)21-19(23)14-22(3)20(24)12-13-25-18-10-6-16(2)7-11-18/h4-11H,12-14H2,1-3H3,(H,21,23)
InChIKeyQPAGCEVMIIBJDW-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.17
Rot. Bonds7

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

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide (PubChem CID 9492849) 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-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
PubChem CID9492849
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCOc2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15-4-8-17(9-5-15)21-19(23)14-22(3)20(24)12-13-25-18-10-6-16(2)7-11-18/h4-11H,12-14H2,1-3H3,(H,21,23)
InChIKeyQPAGCEVMIIBJDW-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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Related Compounds

3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 7918580
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
2-[methyl-[2-(2-phenoxyethoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
CID 55702661
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
CID 7893750
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220518
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide
CID 4030783
4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide
CID 120558863
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-(3,5-dimethoxyphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9087810
3-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9374487

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide (CID 9492849) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide is Cc1ccc(NC(=O)CN(C)C(=O)CCOc2ccc(C)cc2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide?
The InChIKey is QPAGCEVMIIBJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-4-8-17(9-5-15)21-19(23)14-22(3)20(24)12-13-25-18-10-6-16(2)7-11-18/h4-11H,12-14H2,1-3H3,(H,21,23).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-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-(4-methylphenoxy)propanamide is sourced from PubChem (CID 9492849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).