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

C17H26N2O3 — CID 113122550

IUPAC3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)C(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-6-22-15-10-8-7-9-14(15)18-16(21)11-12-19(13(2)20)17(3,4)5/h7-10H,6,11-12H2,1-5H3,(H,18,21)
InChIKeyVFTZYLKONBBBSX-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.06
Rot. Bonds6

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

3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide (PubChem CID 113122550) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide
PubChem CID113122550
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)C(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-6-22-15-10-8-7-9-14(15)18-16(21)11-12-19(13(2)20)17(3,4)5/h7-10H,6,11-12H2,1-5H3,(H,18,21)
InChIKeyVFTZYLKONBBBSX-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115445
3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide
CID 113122509
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116636
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
3-[acetyl(2-methylpropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116041
3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113117001
3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122932
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212
3-[acetyl(prop-2-enyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115644
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide (CID 113122550) is 3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCN(C(C)=O)C(C)(C)C.
What is the InChIKey of 3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is VFTZYLKONBBBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-6-22-15-10-8-7-9-14(15)18-16(21)11-12-19(13(2)20)17(3,4)5/h7-10H,6,11-12H2,1-5H3,(H,18,21).
What are the key properties of 3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide?
3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 113122550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).