2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide

C23H29N3O3 — CID 5110715

IUPAC2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide
SMILESCCC(C)(C(=O)Nc1ccccc1C)N(C(=O)CNC(C)=O)c1ccccc1C
InChIInChI=1S/C23H29N3O3/c1-6-23(5,22(29)25-19-13-9-7-11-16(19)2)26(21(28)15-24-18(4)27)20-14-10-8-12-17(20)3/h7-14H,6,15H2,1-5H3,(H,24,27)(H,25,29)
InChIKeyIPKVNOXNTQYMMF-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.58
Rot. Bonds7

About 2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide

2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide (PubChem CID 5110715) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide
PubChem CID5110715
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide
SMILESCCC(C)(C(=O)Nc1ccccc1C)N(C(=O)CNC(C)=O)c1ccccc1C
InChIInChI=1S/C23H29N3O3/c1-6-23(5,22(29)25-19-13-9-7-11-16(19)2)26(21(28)15-24-18(4)27)20-14-10-8-12-17(20)3/h7-14H,6,15H2,1-5H3,(H,24,27)(H,25,29)
InChIKeyIPKVNOXNTQYMMF-UHFFFAOYSA-N
XLogP3.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide?
The IUPAC name of 2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide (CID 5110715) is 2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide.
What is the SMILES notation for 2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide?
The canonical SMILES for 2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide is CCC(C)(C(=O)Nc1ccccc1C)N(C(=O)CNC(C)=O)c1ccccc1C.
What is the InChIKey of 2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide?
The InChIKey is IPKVNOXNTQYMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-6-23(5,22(29)25-19-13-9-7-11-16(19)2)26(21(28)15-24-18(4)27)20-14-10-8-12-17(20)3/h7-14H,6,15H2,1-5H3,(H,24,27)(H,25,29).
What are the key properties of 2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide?
2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide has a molecular weight of 395.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-acetamidoacetyl)-2-methylanilino)-2-methyl-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 5110715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).