3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane

C15H24N2O4 — CID 145415134

IUPAC3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane
SMILESCC.CC(=O)NCCC(=O)NCCc1cccc(O)c1O
InChIInChI=1S/C13H18N2O4.C2H6/c1-9(16)14-8-6-12(18)15-7-5-10-3-2-4-11(17)13(10)19;1-2/h2-4,17,19H,5-8H2,1H3,(H,14,16)(H,15,18);1-2H3
InChIKeyNWXUKPNDCUCFFI-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.31
Rot. Bonds6

About 3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane

3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane (PubChem CID 145415134) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane.

Molecular Properties

Compound Name3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane
PubChem CID145415134
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane
SMILESCC.CC(=O)NCCC(=O)NCCc1cccc(O)c1O
InChIInChI=1S/C13H18N2O4.C2H6/c1-9(16)14-8-6-12(18)15-7-5-10-3-2-4-11(17)13(10)19;1-2/h2-4,17,19H,5-8H2,1H3,(H,14,16)(H,15,18);1-2H3
InChIKeyNWXUKPNDCUCFFI-UHFFFAOYSA-N
XLogP1.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
4-[2-(2-hydroxy-3-methoxyphenyl)ethylamino]-4-oxobutanoate
CID 9151605
3-acetamido-N-(2-hydroxyphenyl)propanamide
CID 47110153
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 47098552
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
N-(3-acetamidopropyl)-2,3-dihydroxybenzamide
CID 144546819
N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
CID 110609858
4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide
CID 110614901
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane?
The IUPAC name of 3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane (CID 145415134) is 3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane.
What is the SMILES notation for 3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane?
The canonical SMILES for 3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane is CC.CC(=O)NCCC(=O)NCCc1cccc(O)c1O.
What is the InChIKey of 3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane?
The InChIKey is NWXUKPNDCUCFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4.C2H6/c1-9(16)14-8-6-12(18)15-7-5-10-3-2-4-11(17)13(10)19;1-2/h2-4,17,19H,5-8H2,1H3,(H,14,16)(H,15,18);1-2H3.
What are the key properties of 3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane?
3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane has a molecular weight of 296.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(2,3-dihydroxyphenyl)ethyl]propanamide;ethane is sourced from PubChem (CID 145415134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).