N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide

C11H16N2O4 — CID 114345378

IUPACN-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
SMILESNCCOCCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C11H16N2O4/c12-4-6-17-7-5-13-11(16)8-2-1-3-9(14)10(8)15/h1-3,14-15H,4-7,12H2,(H,13,16)
InChIKeyTZTQDGQVKNLKIL-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.20
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide

N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide (PubChem CID 114345378) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
PubChem CID114345378
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
SMILESNCCOCCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C11H16N2O4/c12-4-6-17-7-5-13-11(16)8-2-1-3-9(14)10(8)15/h1-3,14-15H,4-7,12H2,(H,13,16)
InChIKeyTZTQDGQVKNLKIL-UHFFFAOYSA-N
XLogP-0.20
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethoxy)propyl]-2,3-dihydroxybenzamide
CID 114171525
N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide
CID 107017062
2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 114344735
2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 104936500
N-(2-fluoroethyl)-2,3-dihydroxybenzamide
CID 130478170
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284
N-[3-(3-aminopropylamino)propyl]-2,3-dihydroxybenzamide
CID 45479385
N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide
CID 114343182
4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide
CID 167303302
3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
CID 82829209
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide (CID 114345378) is N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide is NCCOCCNC(=O)c1cccc(O)c1O.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide?
The InChIKey is TZTQDGQVKNLKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c12-4-6-17-7-5-13-11(16)8-2-1-3-9(14)10(8)15/h1-3,14-15H,4-7,12H2,(H,13,16).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide?
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide has a molecular weight of 240.26 g/mol, XLogP of -0.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide is sourced from PubChem (CID 114345378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).