N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide

C23H30N2O4 — CID 31930851

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
SMILESCCOc1ccccc1OCCCC(=O)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C23H30N2O4/c1-5-28-19-12-6-7-13-20(19)29-15-9-14-22(27)25(4)16-21(26)24-23-17(2)10-8-11-18(23)3/h6-8,10-13H,5,9,14-16H2,1-4H3,(H,24,26)
InChIKeyDGXCMGQSAOIQPW-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.96
Rot. Bonds10

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide (PubChem CID 31930851) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
PubChem CID31930851
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
SMILESCCOc1ccccc1OCCCC(=O)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C23H30N2O4/c1-5-28-19-12-6-7-13-20(19)29-15-9-14-22(27)25(4)16-21(26)24-23-17(2)10-8-11-18(23)3/h6-8,10-13H,5,9,14-16H2,1-4H3,(H,24,26)
InChIKeyDGXCMGQSAOIQPW-UHFFFAOYSA-N
XLogP3.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 27761676
4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 7719430
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)-N-methylpropanamide
CID 9114741
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 26619678
N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide
CID 27535607
4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide
CID 95971990
6-acetamido-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylhexanamide
CID 112791840
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 55511083
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513
N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55628358

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide (CID 31930851) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide is CCOc1ccccc1OCCCC(=O)N(C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide?
The InChIKey is DGXCMGQSAOIQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-5-28-19-12-6-7-13-20(19)29-15-9-14-22(27)25(4)16-21(26)24-23-17(2)10-8-11-18(23)3/h6-8,10-13H,5,9,14-16H2,1-4H3,(H,24,26).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide has a molecular weight of 398.50 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide is sourced from PubChem (CID 31930851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).