2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide

C24H30N2O3 — CID 113178617

IUPAC2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C(C)=O)c2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C24H30N2O3/c1-15(2)21-8-7-9-22(16(3)4)24(21)26(18(6)28)14-23(29)25-20-12-10-19(11-13-20)17(5)27/h7-13,15-16H,14H2,1-6H3,(H,25,29)
InChIKeyVHPFFNUGPBJQSG-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.13
Rot. Bonds7

About 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide

2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide (PubChem CID 113178617) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide
PubChem CID113178617
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C(C)=O)c2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C24H30N2O3/c1-15(2)21-8-7-9-22(16(3)4)24(21)26(18(6)28)14-23(29)25-20-12-10-19(11-13-20)17(5)27/h7-13,15-16H,14H2,1-6H3,(H,25,29)
InChIKeyVHPFFNUGPBJQSG-UHFFFAOYSA-N
XLogP5.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178618
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide
CID 113178608
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide
CID 113178588
2-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175648
2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide
CID 113169682
2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
CID 113168572
2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113169714
2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113170355
2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide
CID 113170515
N-(4-acetylphenyl)-2-[N-acetyl-3-(trifluoromethyl)anilino]acetamide
CID 113175214
2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169742
2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113181479

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide?
The IUPAC name of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide (CID 113178617) is 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide is CC(=O)c1ccc(NC(=O)CN(C(C)=O)c2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide?
The InChIKey is VHPFFNUGPBJQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-15(2)21-8-7-9-22(16(3)4)24(21)26(18(6)28)14-23(29)25-20-12-10-19(11-13-20)17(5)27/h7-13,15-16H,14H2,1-6H3,(H,25,29).
What are the key properties of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide?
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide is sourced from PubChem (CID 113178617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).