2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide

C11H14N2O4 — CID 103890327

IUPAC2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C11H14N2O4/c1-12-9(16)5-6-13-11(17)10-7(14)3-2-4-8(10)15/h2-4,14-15H,5-6H2,1H3,(H,12,16)(H,13,17)
InChIKeyCLABXHOIYMMSGK-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.04
Rot. Bonds4

About 2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide

2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 103890327) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID103890327
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1c(O)cccc1O
InChIInChI=1S/C11H14N2O4/c1-12-9(16)5-6-13-11(17)10-7(14)3-2-4-8(10)15/h2-4,14-15H,5-6H2,1H3,(H,12,16)(H,13,17)
InChIKeyCLABXHOIYMMSGK-UHFFFAOYSA-N
XLogP-0.04
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
2,6-dihydroxy-N-(2-methylsulfanylethyl)benzamide
CID 103890422
2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107690240
2,6-dihydroxy-N-(3-hydroxybutyl)benzamide
CID 103890654
2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 55099722
5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 79881248
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462
methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate
CID 104916458
2,6-dihydroxy-N-(2-oxopropyl)benzamide
CID 107688759
2,6-dihydroxy-N-(2-sulfamoylethyl)benzamide
CID 103890316
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 103890327) is 2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCNC(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is CLABXHOIYMMSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-12-9(16)5-6-13-11(17)10-7(14)3-2-4-8(10)15/h2-4,14-15H,5-6H2,1H3,(H,12,16)(H,13,17).
What are the key properties of 2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 238.24 g/mol, XLogP of -0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 103890327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).