2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide

C21H25N3O3 — CID 113175968

IUPAC2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C21H25N3O3/c1-14(2)17-5-7-19(8-6-17)23-21(27)13-24(16(4)26)20-11-9-18(10-12-20)22-15(3)25/h5-12,14H,13H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyGDJBZTWYLRGYCF-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.76
Rot. Bonds6

About 2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 113175968) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID113175968
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C21H25N3O3/c1-14(2)17-5-7-19(8-6-17)23-21(27)13-24(16(4)26)20-11-9-18(10-12-20)22-15(3)25/h5-12,14H,13H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyGDJBZTWYLRGYCF-UHFFFAOYSA-N
XLogP3.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-propan-2-ylanilino)-N-phenylacetamide
CID 113169827
2-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113169312
2-(N-acetyl-4-methoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113173591
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113176021
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113178476
2-(N-acetyl-3-fluoroanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113177670
2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113177946
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
2-(4-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175959
2-(N-acetyl-4-propan-2-ylanilino)-N-(2-methylphenyl)acetamide
CID 113169828
methyl 3-[[2-(N-acetyl-4-propan-2-ylanilino)acetyl]amino]benzoate
CID 113169884

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 113175968) is 2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide is CC(=O)Nc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)C(C)=O)cc1.
What is the InChIKey of 2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is GDJBZTWYLRGYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14(2)17-5-7-19(8-6-17)23-21(27)13-24(16(4)26)20-11-9-18(10-12-20)22-15(3)25/h5-12,14H,13H2,1-4H3,(H,22,25)(H,23,27).
What are the key properties of 2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113175968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).