3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide

C22H28N2O3 — CID 113125924

IUPAC3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-5-27-21-9-7-6-8-20(21)23-22(26)14-15-24(17(4)25)19-12-10-18(11-13-19)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,23,26)
InChIKeyCGFRLGCDDOZZPD-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.59
Rot. Bonds8

About 3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide

3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide (PubChem CID 113125924) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide
PubChem CID113125924
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-5-27-21-9-7-6-8-20(21)23-22(26)14-15-24(17(4)25)19-12-10-18(11-13-19)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,23,26)
InChIKeyCGFRLGCDDOZZPD-UHFFFAOYSA-N
XLogP4.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 113134137
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212
methyl 3-[acetyl-[3-(2-ethoxyanilino)-3-oxopropyl]amino]benzoate
CID 113131429
3-[acetyl(2-methylpropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116041
ethyl 4-[acetyl-[3-oxo-3-(2-propan-2-ylanilino)propyl]amino]benzoate
CID 113133362
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 113131897
3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113129456
3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122932
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516
3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide (CID 113125924) is 3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCN(C(C)=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is CGFRLGCDDOZZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-27-21-9-7-6-8-20(21)23-22(26)14-15-24(17(4)25)19-12-10-18(11-13-19)16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide?
3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 113125924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).