2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide

C14H20N2O4 — CID 62029540

IUPAC2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H20N2O4/c1-3-15-14(20)9-16(4-2)8-13(19)10-5-6-11(17)12(18)7-10/h5-7,17-18H,3-4,8-9H2,1-2H3,(H,15,20)
InChIKeyXHTCECSDRWHLLW-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.74
Rot. Bonds7

About 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide

2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide (PubChem CID 62029540) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
PubChem CID62029540
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H20N2O4/c1-3-15-14(20)9-16(4-2)8-13(19)10-5-6-11(17)12(18)7-10/h5-7,17-18H,3-4,8-9H2,1-2H3,(H,15,20)
InChIKeyXHTCECSDRWHLLW-UHFFFAOYSA-N
XLogP0.74
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986726
1-(3,4-dihydroxyphenyl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795104
1-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-methylamino]ethanone;hydrochloride
CID 175674657
2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60702318
ethane;N-ethyl-3,4-dihydroxy-N-methylbenzamide
CID 144926311
N-ethyl-2-[ethyl-[[4-hydroxy-3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 82957049
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
N-ethyl-2-[ethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]acetamide
CID 26519118
2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 9432878
dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate
CID 9432979
2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 62035140
N-ethyl-2-[ethyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]acetamide
CID 82986658

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide (CID 62029540) is 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)CC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The InChIKey is XHTCECSDRWHLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-15-14(20)9-16(4-2)8-13(19)10-5-6-11(17)12(18)7-10/h5-7,17-18H,3-4,8-9H2,1-2H3,(H,15,20).
What are the key properties of 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide?
2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide has a molecular weight of 280.32 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 62029540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).