N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide

C21H26N2O3 — CID 2672598

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-15-5-6-16(2)19(13-15)22-20(24)14-23(3)21(25)12-9-17-7-10-18(26-4)11-8-17/h5-8,10-11,13H,9,12,14H2,1-4H3,(H,22,24)
InChIKeyCODGCFJQCBNZCL-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.34
Rot. Bonds7

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide (PubChem CID 2672598) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
PubChem CID2672598
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-15-5-6-16(2)19(13-15)22-20(24)14-23(3)21(25)12-9-17-7-10-18(26-4)11-8-17/h5-8,10-11,13H,9,12,14H2,1-4H3,(H,22,24)
InChIKeyCODGCFJQCBNZCL-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide (CID 2672598) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide is COc1ccc(CCC(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is CODGCFJQCBNZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-5-6-16(2)19(13-15)22-20(24)14-23(3)21(25)12-9-17-7-10-18(26-4)11-8-17/h5-8,10-11,13H,9,12,14H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 354.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 2672598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).