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

C22H28N2O4 — CID 113129785

IUPAC3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCN(C(C)=O)c2ccccc2OC(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-5-27-19-12-10-18(11-13-19)23-22(26)14-15-24(17(4)25)20-8-6-7-9-21(20)28-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,23,26)
InChIKeyUDKSMVFCAYZYLR-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.25
Rot. Bonds9

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

3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide (PubChem CID 113129785) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide
PubChem CID113129785
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCN(C(C)=O)c2ccccc2OC(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-5-27-19-12-10-18(11-13-19)23-22(26)14-15-24(17(4)25)20-8-6-7-9-21(20)28-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,23,26)
InChIKeyUDKSMVFCAYZYLR-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-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129331
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-propan-2-yloxyanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113129799
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-fluorophenyl)propanamide
CID 113129771
3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113128795
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113124239
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129740
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-chlorophenyl)acetamide
CID 113174292
3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109039924

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide (CID 113129785) is 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCN(C(C)=O)c2ccccc2OC(C)C)cc1.
What is the InChIKey of 3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is UDKSMVFCAYZYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-27-19-12-10-18(11-13-19)23-22(26)14-15-24(17(4)25)20-8-6-7-9-21(20)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-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide?
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)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-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 113129785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).