N-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide

C26H26N2O3 — CID 23761912

IUPACN-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)C(c1ccc(Oc2ccccc2)cc1)N1CCC1=O
InChIInChI=1S/C26H26N2O3/c1-3-19-9-7-8-18(2)24(19)27-26(30)25(28-17-16-23(28)29)20-12-14-22(15-13-20)31-21-10-5-4-6-11-21/h4-15,25H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyKOPXLVJUQITZAU-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.26
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide

N-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide (PubChem CID 23761912) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide
PubChem CID23761912
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)C(c1ccc(Oc2ccccc2)cc1)N1CCC1=O
InChIInChI=1S/C26H26N2O3/c1-3-19-9-7-8-18(2)24(19)27-26(30)25(28-17-16-23(28)29)20-12-14-22(15-13-20)31-21-10-5-4-6-11-21/h4-15,25H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyKOPXLVJUQITZAU-UHFFFAOYSA-N
XLogP5.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-2-phenylacetamide
CID 61148140
2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-(4-oxo-1,2,5,6-tetrahydroazepino[4,5-b]indol-3-yl)acetamide
CID 127046453
N-(2-ethyl-6-methylphenyl)-2-(2-phenoxyanilino)acetamide
CID 9102660
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-[(2-ethyl-6-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 650275
1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea
CID 3835143
5-(2-ethyl-6-methylanilino)-4-methyl-5-oxopentanoic acid
CID 112517138
(2R)-N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 2576276
N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 4877561
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide
CID 60622068
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 2389381
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide (CID 23761912) is N-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide is CCc1cccc(C)c1NC(=O)C(c1ccc(Oc2ccccc2)cc1)N1CCC1=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide?
The InChIKey is KOPXLVJUQITZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-3-19-9-7-8-18(2)24(19)27-26(30)25(28-17-16-23(28)29)20-12-14-22(15-13-20)31-21-10-5-4-6-11-21/h4-15,25H,3,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(2-oxoazetidin-1-yl)-2-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 23761912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).