3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide

C20H24N2O3 — CID 113129395

IUPAC3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
SMILESCCOc1ccc(N(CCC(=O)NCc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-3-25-19-11-9-18(10-12-19)22(16(2)23)14-13-20(24)21-15-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,21,24)
InChIKeyAHBADPHXUDGJGW-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.14
Rot. Bonds8

About 3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide

3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide (PubChem CID 113129395) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
PubChem CID113129395
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
SMILESCCOc1ccc(N(CCC(=O)NCc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C20H24N2O3/c1-3-25-19-11-9-18(10-12-19)22(16(2)23)14-13-20(24)21-15-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,21,24)
InChIKeyAHBADPHXUDGJGW-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113129401
3-[N-acetyl-4-(diethylamino)anilino]-N-benzylpropanamide
CID 113131852
3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide
CID 113129400
3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113129456
3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129069
3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113129082
3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide
CID 113132055
3-(N-acetyl-4-propan-2-yloxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129839
3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123406
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129516

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide?
The IUPAC name of 3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide (CID 113129395) is 3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide.
What is the SMILES notation for 3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide?
The canonical SMILES for 3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide is CCOc1ccc(N(CCC(=O)NCc2ccccc2)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide?
The InChIKey is AHBADPHXUDGJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-25-19-11-9-18(10-12-19)22(16(2)23)14-13-20(24)21-15-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide?
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide has a molecular weight of 340.42 g/mol, XLogP of 3.14, 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-ethoxyanilino)-N-benzylpropanamide is sourced from PubChem (CID 113129395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).