2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

C11H14N2O4 — CID 114343941

IUPAC2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1cccc(O)c1O
InChIInChI=1S/C11H14N2O4/c1-12-9(15)6-13(2)11(17)7-4-3-5-8(14)10(7)16/h3-5,14,16H,6H2,1-2H3,(H,12,15)
InChIKeyRSZCXYHRJMKTHY-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.08
Rot. Bonds3

About 2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 114343941) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID114343941
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1cccc(O)c1O
InChIInChI=1S/C11H14N2O4/c1-12-9(15)6-13(2)11(17)7-4-3-5-8(14)10(7)16/h3-5,14,16H,6H2,1-2H3,(H,12,15)
InChIKeyRSZCXYHRJMKTHY-UHFFFAOYSA-N
XLogP-0.08
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
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

4-fluoro-2-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 113304528
3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 112574764
3-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 80706848
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 63107687
2-[2-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]sulfanylpropanoic acid
CID 119954391
2,3-dihydroxy-N-methylbenzohydrazide
CID 142945868
N-(3-bromobutyl)-2,3-dihydroxy-N-methylbenzamide
CID 114345365
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylbenzamide
CID 107022686
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374604
2-hydroxy-N-methyl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 103746406
2,3-dihydroxy-N-methoxy-N-methylbenzamide
CID 114344880

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 114343941) is 2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CN(C)C(=O)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is RSZCXYHRJMKTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-12-9(15)6-13(2)11(17)7-4-3-5-8(14)10(7)16/h3-5,14,16H,6H2,1-2H3,(H,12,15).
What are the key properties of 2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 238.24 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 114343941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).