3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide

C25H34N2O2 — CID 113126454

IUPAC3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C25H34N2O2/c1-18(28)27(22-11-9-8-10-21(22)25(5,6)7)17-16-23(29)26-20-14-12-19(13-15-20)24(2,3)4/h8-15H,16-17H2,1-7H3,(H,26,29)
InChIKeyJVZSTRONIXIHHM-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.66
Rot. Bonds5

About 3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide

3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide (PubChem CID 113126454) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide
PubChem CID113126454
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C25H34N2O2/c1-18(28)27(22-11-9-8-10-21(22)25(5,6)7)17-16-23(29)26-20-14-12-19(13-15-20)24(2,3)4/h8-15H,16-17H2,1-7H3,(H,26,29)
InChIKeyJVZSTRONIXIHHM-UHFFFAOYSA-N
XLogP5.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-tert-butylanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126443
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide
CID 113129770
3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113124393
3-(N-acetyl-2-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113126445
2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide
CID 113170515
3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113127750
3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113123836
3-(N-acetyl-2-tert-butylanilino)-N-cycloheptylpropanamide
CID 113126424
3-(N-acetyl-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123621
methyl 2-[[3-(4-acetamidoanilino)-3-oxopropyl]-acetylamino]benzoate
CID 113131308

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide (CID 113126454) is 3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1C(C)(C)C.
What is the InChIKey of 3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide?
The InChIKey is JVZSTRONIXIHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-18(28)27(22-11-9-8-10-21(22)25(5,6)7)17-16-23(29)26-20-14-12-19(13-15-20)24(2,3)4/h8-15H,16-17H2,1-7H3,(H,26,29).
What are the key properties of 3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide?
3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide has a molecular weight of 394.56 g/mol, XLogP of 5.66, 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-(4-tert-butylphenyl)propanamide is sourced from PubChem (CID 113126454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).