N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide

C23H28N2O3 — CID 27718932

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)NCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H28N2O3/c1-4-6-18-9-11-19(12-10-18)20(26)13-14-21(27)24-15-22(28)25-23-16(2)7-5-8-17(23)3/h5,7-12H,4,6,13-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyOOSXQVYQEFQTPT-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.97
Rot. Bonds9

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide (PubChem CID 27718932) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide
PubChem CID27718932
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)NCC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H28N2O3/c1-4-6-18-9-11-19(12-10-18)20(26)13-14-21(27)24-15-22(28)25-23-16(2)7-5-8-17(23)3/h5,7-12H,4,6,13-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyOOSXQVYQEFQTPT-UHFFFAOYSA-N
XLogP3.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide
CID 9300683
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethylbenzoate
CID 7364828
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
N'-(2,6-dimethylphenyl)-N-propylbutanediamide
CID 71979821
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 42981679
N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 9393708
N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide
CID 9314118
methyl 4-[[4-oxo-4-(4-propylphenyl)butanoyl]amino]benzoate
CID 40724039
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)acetamide
CID 78821982
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide
CID 42576438
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pentanamide
CID 112996980

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide (CID 27718932) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide is CCCc1ccc(C(=O)CCC(=O)NCC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide?
The InChIKey is OOSXQVYQEFQTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-6-18-9-11-19(12-10-18)20(26)13-14-21(27)24-15-22(28)25-23-16(2)7-5-8-17(23)3/h5,7-12H,4,6,13-15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide has a molecular weight of 380.49 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide is sourced from PubChem (CID 27718932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).