3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide

C23H30N2O2 — CID 113124393

IUPAC3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1cc(C)ccc1C
InChIInChI=1S/C23H30N2O2/c1-16-7-8-17(2)21(15-16)25(18(3)26)14-13-22(27)24-20-11-9-19(10-12-20)23(4,5)6/h7-12,15H,13-14H2,1-6H3,(H,24,27)
InChIKeyKNSXXWWUOYFVHV-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.98
Rot. Bonds5

About 3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide

3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide (PubChem CID 113124393) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide
PubChem CID113124393
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1cc(C)ccc1C
InChIInChI=1S/C23H30N2O2/c1-16-7-8-17(2)21(15-16)25(18(3)26)14-13-22(27)24-20-11-9-19(10-12-20)23(4,5)6/h7-12,15H,13-14H2,1-6H3,(H,24,27)
InChIKeyKNSXXWWUOYFVHV-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-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-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123621
N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
CID 113127781
3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113126454
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113129649
3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124234
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
3-(N-acetyl-4-bromo-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113132763
3-(N-acetyl-2,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124281
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113127759
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113124239

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide (CID 113124393) is 3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1cc(C)ccc1C.
What is the InChIKey of 3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide?
The InChIKey is KNSXXWWUOYFVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16-7-8-17(2)21(15-16)25(18(3)26)14-13-22(27)24-20-11-9-19(10-12-20)23(4,5)6/h7-12,15H,13-14H2,1-6H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide?
3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)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-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide is sourced from PubChem (CID 113124393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).