3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide

C22H28N2O3 — CID 43009894

IUPAC3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CCOc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C22H28N2O3/c1-14-6-7-16(3)19(12-14)27-9-8-20(25)23-13-21(26)24-22-17(4)10-15(2)11-18(22)5/h6-7,10-12H,8-9,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyUGHBHLYWGQTNBY-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.75
Rot. Bonds7

About 3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide

3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide (PubChem CID 43009894) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
PubChem CID43009894
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CCOc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C22H28N2O3/c1-14-6-7-16(3)19(12-14)27-9-8-20(25)23-13-21(26)24-22-17(4)10-15(2)11-18(22)5/h6-7,10-12H,8-9,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyUGHBHLYWGQTNBY-UHFFFAOYSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide
CID 27781487
3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46786994
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
N-cyano-3-(2,5-dimethylphenoxy)propanamide
CID 79194357
3-(2,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 78799816
3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107764
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112998279
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)-N-methylpropanamide
CID 9114741

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide (CID 43009894) is 3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide is Cc1cc(C)c(NC(=O)CNC(=O)CCOc2cc(C)ccc2C)c(C)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide?
The InChIKey is UGHBHLYWGQTNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-14-6-7-16(3)19(12-14)27-9-8-20(25)23-13-21(26)24-22-17(4)10-15(2)11-18(22)5/h6-7,10-12H,8-9,13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide?
3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide is sourced from PubChem (CID 43009894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).