3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide

C22H28N2O2 — CID 113123836

IUPAC3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C22H28N2O2/c1-16-7-6-8-20(15-16)24(17(2)25)14-13-21(26)23-19-11-9-18(10-12-19)22(3,4)5/h6-12,15H,13-14H2,1-5H3,(H,23,26)
InChIKeyFUUUPYRTGWVDLO-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.67
Rot. Bonds5

About 3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide

3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide (PubChem CID 113123836) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide
PubChem CID113123836
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C22H28N2O2/c1-16-7-6-8-20(15-16)24(17(2)25)14-13-21(26)23-19-11-9-18(10-12-19)22(3,4)5/h6-12,15H,13-14H2,1-5H3,(H,23,26)
InChIKeyFUUUPYRTGWVDLO-UHFFFAOYSA-N
XLogP4.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 113123875
3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113124393
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113123896
3-(N-acetyl-5-chloro-2-methylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113127750
methyl 3-[acetyl-[3-(3-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131394
3-(N-acetyl-2-tert-butylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113126454
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide (CID 113123836) is 3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(C)c1.
What is the InChIKey of 3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide?
The InChIKey is FUUUPYRTGWVDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-7-6-8-20(15-16)24(17(2)25)14-13-21(26)23-19-11-9-18(10-12-19)22(3,4)5/h6-12,15H,13-14H2,1-5H3,(H,23,26).
What are the key properties of 3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide?
3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide is sourced from PubChem (CID 113123836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).