3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide

C18H28N2O3 — CID 113122932

IUPAC3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(CCC(C)C)C(C)=O
InChIInChI=1S/C18H28N2O3/c1-5-23-17-9-7-6-8-16(17)19-18(22)11-13-20(15(4)21)12-10-14(2)3/h6-9,14H,5,10-13H2,1-4H3,(H,19,22)
InChIKeyAIUKKMYDAFCBII-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.31
Rot. Bonds9

About 3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide

3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide (PubChem CID 113122932) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide
PubChem CID113122932
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(CCC(C)C)C(C)=O
InChIInChI=1S/C18H28N2O3/c1-5-23-17-9-7-6-8-16(17)19-18(22)11-13-20(15(4)21)12-10-14(2)3/h6-9,14H,5,10-13H2,1-4H3,(H,19,22)
InChIKeyAIUKKMYDAFCBII-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(2-methylpropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116041
3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113117001
3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115644
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 113119354
3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122902
3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115445
3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122550
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116636
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113125924

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide (CID 113122932) is 3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCN(CCC(C)C)C(C)=O.
What is the InChIKey of 3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is AIUKKMYDAFCBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-23-17-9-7-6-8-16(17)19-18(22)11-13-20(15(4)21)12-10-14(2)3/h6-9,14H,5,10-13H2,1-4H3,(H,19,22).
What are the key properties of 3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide?
3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 113122932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).