N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide

C20H25NO2 — CID 112977990

IUPACN-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCCN(C(=O)COc1c(C)ccc(C)c1C)c1cccc(C)c1
InChIInChI=1S/C20H25NO2/c1-6-21(18-9-7-8-14(2)12-18)19(22)13-23-20-16(4)11-10-15(3)17(20)5/h7-12H,6,13H2,1-5H3
InChIKeyJOOJMOZYRLEHBH-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.35
Rot. Bonds5

About N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide

N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 112977990) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID112977990
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCCN(C(=O)COc1c(C)ccc(C)c1C)c1cccc(C)c1
InChIInChI=1S/C20H25NO2/c1-6-21(18-9-7-8-14(2)12-18)19(22)13-23-20-16(4)11-10-15(3)17(20)5/h7-12H,6,13H2,1-5H3
InChIKeyJOOJMOZYRLEHBH-UHFFFAOYSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112978898
2-(3-chlorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112977302
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 47024393
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N-ethyl-N-(3-methylphenyl)-3-phenoxypropanamide
CID 113099032
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
3-(N-ethyl-3-methylanilino)-3-oxopropane-1-sulfonyl chloride
CID 98489365
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide
CID 109012170

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide (CID 112977990) is N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide is CCN(C(=O)COc1c(C)ccc(C)c1C)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is JOOJMOZYRLEHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-6-21(18-9-7-8-14(2)12-18)19(22)13-23-20-16(4)11-10-15(3)17(20)5/h7-12H,6,13H2,1-5H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide?
N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 311.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 112977990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).