3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide

C20H24N2O2 — CID 113123440

IUPAC3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(2)17-9-11-18(12-10-17)21-20(24)13-14-22(16(3)23)19-7-5-4-6-8-19/h4-12,15H,13-14H2,1-3H3,(H,21,24)
InChIKeyRZJLNROJNLSGOZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.19
Rot. Bonds6

About 3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide

3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 113123440) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID113123440
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(2)17-9-11-18(12-10-17)21-20(24)13-14-22(16(3)23)19-7-5-4-6-8-19/h4-12,15H,13-14H2,1-3H3,(H,21,24)
InChIKeyRZJLNROJNLSGOZ-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113125426
3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113134123
3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113125934
3-(N-acetyl-4-propan-2-ylanilino)-N-(4-cyanophenyl)propanamide
CID 113125961
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113125911
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113132001
2-(N-acetyl-4-propan-2-ylanilino)-N-phenylacetamide
CID 113169827
3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113128795
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113125917
3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide
CID 113134105
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113175968
3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113125924

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide (CID 113123440) is 3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)c1ccccc1.
What is the InChIKey of 3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is RZJLNROJNLSGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(2)17-9-11-18(12-10-17)21-20(24)13-14-22(16(3)23)19-7-5-4-6-8-19/h4-12,15H,13-14H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide?
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 324.42 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113123440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).