N-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide

C18H21NO2 — CID 725597

IUPACN-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide
SMILESCCc1cccc(C)c1NC(=O)CCOc1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-15-9-7-8-14(2)18(15)19-17(20)12-13-21-16-10-5-4-6-11-16/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyJXCDHVZTHNRRSG-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.97
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide

N-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide (PubChem CID 725597) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide
PubChem CID725597
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide
SMILESCCc1cccc(C)c1NC(=O)CCOc1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-15-9-7-8-14(2)18(15)19-17(20)12-13-21-16-10-5-4-6-11-16/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyJXCDHVZTHNRRSG-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide (CID 725597) is N-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide is CCc1cccc(C)c1NC(=O)CCOc1ccccc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide?
The InChIKey is JXCDHVZTHNRRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-15-9-7-8-14(2)18(15)19-17(20)12-13-21-16-10-5-4-6-11-16/h4-11H,3,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide?
N-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide has a molecular weight of 283.37 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-phenoxypropanamide is sourced from PubChem (CID 725597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).