2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide

C21H26N2O3 — CID 113174277

IUPAC2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C(C)=O)c1ccccc1OC(C)C
InChIInChI=1S/C21H26N2O3/c1-5-17-10-6-7-11-18(17)22-21(25)14-23(16(4)24)19-12-8-9-13-20(19)26-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,22,25)
InChIKeyXEGAQAQELJDMHP-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.03
Rot. Bonds7

About 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide

2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide (PubChem CID 113174277) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide
PubChem CID113174277
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C(C)=O)c1ccccc1OC(C)C
InChIInChI=1S/C21H26N2O3/c1-5-17-10-6-7-11-18(17)22-21(25)14-23(16(4)24)19-12-8-9-13-20(19)26-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,22,25)
InChIKeyXEGAQAQELJDMHP-UHFFFAOYSA-N
XLogP4.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113167392
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide
CID 113174433
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113174308
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-chlorophenyl)acetamide
CID 113174292
N-(3-acetylphenyl)-2-(N-acetyl-2-propan-2-yloxyanilino)acetamide
CID 113174315
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113174773
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-fluorophenyl)acetamide
CID 113174325
2-(N-acetyl-2-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169101
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
CID 113129771
2-(N-acetyl-2-propan-2-yloxyanilino)-N,N-dimethylacetamide
CID 3026215
2-(N-acetyl-2-ethoxyanilino)-N-(2-chlorophenyl)acetamide
CID 113173783

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide (CID 113174277) is 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C(C)=O)c1ccccc1OC(C)C.
What is the InChIKey of 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide?
The InChIKey is XEGAQAQELJDMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-17-10-6-7-11-18(17)22-21(25)14-23(16(4)24)19-12-8-9-13-20(19)26-15(2)3/h6-13,15H,5,14H2,1-4H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide?
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 113174277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).