N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide

C15H23NO2 — CID 115191437

IUPACN-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide
SMILESCCOc1ccc(C(C)(C)CNC(C)=O)cc1C
InChIInChI=1S/C15H23NO2/c1-6-18-14-8-7-13(9-11(14)2)15(4,5)10-16-12(3)17/h7-9H,6,10H2,1-5H3,(H,16,17)
InChIKeyTWYZJMTWAVSUDJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide

N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide (PubChem CID 115191437) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide
PubChem CID115191437
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide
SMILESCCOc1ccc(C(C)(C)CNC(C)=O)cc1C
InChIInChI=1S/C15H23NO2/c1-6-18-14-8-7-13(9-11(14)2)15(4,5)10-16-12(3)17/h7-9H,6,10H2,1-5H3,(H,16,17)
InChIKeyTWYZJMTWAVSUDJ-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea
CID 115168787
N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide
CID 115191439
[2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid
CID 115171411
N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227492
N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 115215303
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173
N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide
CID 115191413
N-[2-ethoxy-5-[2-hydroxy-1-(methylamino)propan-2-yl]phenyl]acetamide
CID 112513667
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
CID 113213798
ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196
4-(4-ethoxy-3-methylphenyl)-4,4-difluorobutanoic acid
CID 116838445

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide?
The IUPAC name of N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide (CID 115191437) is N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide is CCOc1ccc(C(C)(C)CNC(C)=O)cc1C.
What is the InChIKey of N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide?
The InChIKey is TWYZJMTWAVSUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-18-14-8-7-13(9-11(14)2)15(4,5)10-16-12(3)17/h7-9H,6,10H2,1-5H3,(H,16,17).
What are the key properties of N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide?
N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide has a molecular weight of 249.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 115191437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).