2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide

C22H26N2O3 — CID 113170515

IUPAC2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C(C)=O)c2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O3/c1-15(25)17-10-12-18(13-11-17)23-21(27)14-24(16(2)26)20-9-7-6-8-19(20)22(3,4)5/h6-13H,14H2,1-5H3,(H,23,27)
InChIKeyXAVHBWHANKOLOI-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.18
Rot. Bonds5

About 2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide

2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide (PubChem CID 113170515) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide
PubChem CID113170515
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C(C)=O)c2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O3/c1-15(25)17-10-12-18(13-11-17)23-21(27)14-24(16(2)26)20-9-7-6-8-19(20)22(3,4)5/h6-13H,14H2,1-5H3,(H,23,27)
InChIKeyXAVHBWHANKOLOI-UHFFFAOYSA-N
XLogP4.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113170522
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide
CID 113175032
3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113126454
N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide
CID 113178758
3-(N-acetyl-2-tert-butylanilino)-N-(4-fluorophenyl)propanamide
CID 113126456
3-(N-acetyl-2-tert-butylanilino)-N-(4-chlorophenyl)propanamide
CID 113126459
2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide
CID 113170397
N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide
CID 113171239
2-(N-acetyl-2-ethylanilino)-N-phenylacetamide
CID 113169100
2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide
CID 113170454
2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide
CID 113180714
2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
CID 113168572

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide (CID 113170515) is 2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide is CC(=O)c1ccc(NC(=O)CN(C(C)=O)c2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide?
The InChIKey is XAVHBWHANKOLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(25)17-10-12-18(13-11-17)23-21(27)14-24(16(2)26)20-9-7-6-8-19(20)22(3,4)5/h6-13H,14H2,1-5H3,(H,23,27).
What are the key properties of 2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide?
2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide has a molecular weight of 366.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide is sourced from PubChem (CID 113170515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).