N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide

C18H21NO3 — CID 732608

IUPACN-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H21NO3/c1-4-21-16-5-7-17(8-6-16)22-12-18(20)19-15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyKMWVITLVGHFHLP-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.72
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide

N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide (PubChem CID 732608) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide
PubChem CID732608
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H21NO3/c1-4-21-16-5-7-17(8-6-16)22-12-18(20)19-15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyKMWVITLVGHFHLP-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide (CID 732608) is N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is KMWVITLVGHFHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-21-16-5-7-17(8-6-16)22-12-18(20)19-15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3,(H,19,20).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide?
N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 732608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).