N,N-diethyl-2,3-dihydroxybenzamide

C11H15NO3 — CID 15178612

IUPACN,N-diethyl-2,3-dihydroxybenzamide
SMILESCCN(CC)C(=O)c1cccc(O)c1O
InChIInChI=1S/C11H15NO3/c1-3-12(4-2)11(15)8-6-5-7-9(13)10(8)14/h5-7,13-14H,3-4H2,1-2H3
InChIKeyKLIZIGYAPYXTBK-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.58
Rot. Bonds3

About N,N-diethyl-2,3-dihydroxybenzamide

N,N-diethyl-2,3-dihydroxybenzamide (PubChem CID 15178612) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is N,N-diethyl-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN,N-diethyl-2,3-dihydroxybenzamide
PubChem CID15178612
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC NameN,N-diethyl-2,3-dihydroxybenzamide
SMILESCCN(CC)C(=O)c1cccc(O)c1O
InChIInChI=1S/C11H15NO3/c1-3-12(4-2)11(15)8-6-5-7-9(13)10(8)14/h5-7,13-14H,3-4H2,1-2H3
InChIKeyKLIZIGYAPYXTBK-UHFFFAOYSA-N
XLogP1.58
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
CID 102993947
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
N-ethyl-2,3-dihydroxy-N-propan-2-ylbenzamide
CID 114343923
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549
N-ethyl-2,3-dihydroxy-N-phenylbenzamide
CID 114343845
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide
CID 114344418
N,N-bis(cyanomethyl)-2,3-dihydroxybenzamide
CID 114343820
potassium 2-(diethylcarbamoyl)benzoate
CID 135085837
N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide
CID 114344176
N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82830028
2,3-dihydroxy-N-methylbenzohydrazide
CID 142945868

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3-dihydroxybenzamide?
The IUPAC name of N,N-diethyl-2,3-dihydroxybenzamide (CID 15178612) is N,N-diethyl-2,3-dihydroxybenzamide.
What is the SMILES notation for N,N-diethyl-2,3-dihydroxybenzamide?
The canonical SMILES for N,N-diethyl-2,3-dihydroxybenzamide is CCN(CC)C(=O)c1cccc(O)c1O.
What is the InChIKey of N,N-diethyl-2,3-dihydroxybenzamide?
The InChIKey is KLIZIGYAPYXTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-12(4-2)11(15)8-6-5-7-9(13)10(8)14/h5-7,13-14H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,3-dihydroxybenzamide?
N,N-diethyl-2,3-dihydroxybenzamide has a molecular weight of 209.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3-dihydroxybenzamide is sourced from PubChem (CID 15178612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).