3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide

C22H28N2O4 — CID 113129331

IUPAC3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCCOc1ccccc1N(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)=O
InChIInChI=1S/C22H28N2O4/c1-5-27-21-9-7-6-8-20(21)24(17(4)25)15-14-22(26)23-18-10-12-19(13-11-18)28-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,23,26)
InChIKeyJYHBBYVIWCKEGG-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.25
Rot. Bonds9

About 3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide

3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 113129331) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID113129331
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCCOc1ccccc1N(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)=O
InChIInChI=1S/C22H28N2O4/c1-5-27-21-9-7-6-8-20(21)24(17(4)25)15-14-22(26)23-18-10-12-19(13-11-18)28-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,23,26)
InChIKeyJYHBBYVIWCKEGG-UHFFFAOYSA-N
XLogP4.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 113129785
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129788
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-tert-butylphenyl)propanamide
CID 113129770
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113174308
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
N-(4-acetamidophenyl)-2-(N-acetyl-2-ethoxyanilino)acetamide
CID 113173812
3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113128795
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113129799
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
CID 113129771
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113121305
3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113119018

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide (CID 113129331) is 3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide is CCOc1ccccc1N(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is JYHBBYVIWCKEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-27-21-9-7-6-8-20(21)24(17(4)25)15-14-22(26)23-18-10-12-19(13-11-18)28-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113129331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).