3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide

C23H30N2O2 — CID 113126443

IUPAC3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)cc(C)c1)c1ccccc1C(C)(C)C
InChIInChI=1S/C23H30N2O2/c1-16-13-17(2)15-19(14-16)24-22(27)11-12-25(18(3)26)21-10-8-7-9-20(21)23(4,5)6/h7-10,13-15H,11-12H2,1-6H3,(H,24,27)
InChIKeyYRZMKGHTBAJYIO-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.98
Rot. Bonds5

About 3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide

3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide (PubChem CID 113126443) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide
PubChem CID113126443
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)cc(C)c1)c1ccccc1C(C)(C)C
InChIInChI=1S/C23H30N2O2/c1-16-13-17(2)15-19(14-16)24-22(27)11-12-25(18(3)26)21-10-8-7-9-20(21)23(4,5)6/h7-10,13-15H,11-12H2,1-6H3,(H,24,27)
InChIKeyYRZMKGHTBAJYIO-UHFFFAOYSA-N
XLogP4.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113126454
3-(N-acetyl-2-tert-butylanilino)-N-(4-fluorophenyl)propanamide
CID 113126456
3-(N-acetyl-2-tert-butylanilino)-N-(4-chlorophenyl)propanamide
CID 113126459
3-(N-acetyl-2-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126725
3-(N-acetyl-2-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113126445
ethyl 2-[acetyl-[3-(3,5-dimethylanilino)-3-oxopropyl]amino]benzoate
CID 113134616
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113130374
3-(N-acetyl-2-tert-butylanilino)-N-cycloheptylpropanamide
CID 113126424
3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 113126717
3-(N-acetyl-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123621
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4-dimethylphenyl)propanamide
CID 113130362
3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126915

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide (CID 113126443) is 3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cc(C)cc(C)c1)c1ccccc1C(C)(C)C.
What is the InChIKey of 3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is YRZMKGHTBAJYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16-13-17(2)15-19(14-16)24-22(27)11-12-25(18(3)26)21-10-8-7-9-20(21)23(4,5)6/h7-10,13-15H,11-12H2,1-6H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide?
3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 366.51 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113126443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).