3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide

C22H28N2O2 — CID 113125426

IUPAC3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCCc1ccc(N(CCC(=O)Nc2ccc(C(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C22H28N2O2/c1-5-18-6-12-21(13-7-18)24(17(4)25)15-14-22(26)23-20-10-8-19(9-11-20)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,23,26)
InChIKeyXIFJSOIXZJJIDD-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.75
Rot. Bonds7

About 3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide

3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 113125426) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID113125426
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCCc1ccc(N(CCC(=O)Nc2ccc(C(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C22H28N2O2/c1-5-18-6-12-21(13-7-18)24(17(4)25)15-14-22(26)23-20-10-8-19(9-11-20)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,23,26)
InChIKeyXIFJSOIXZJJIDD-UHFFFAOYSA-N
XLogP4.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435
2-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113169312
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
3-(N-acetyl-4-propan-2-ylanilino)-N-(4-cyanophenyl)propanamide
CID 113125961
3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113125934
3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113134123
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113132001
3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113125417
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113125917
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113125911
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113175968

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide (CID 113125426) is 3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide is CCc1ccc(N(CCC(=O)Nc2ccc(C(C)C)cc2)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is XIFJSOIXZJJIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-18-6-12-21(13-7-18)24(17(4)25)15-14-22(26)23-20-10-8-19(9-11-20)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide?
3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113125426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).