2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide

C10H14N2O3 — CID 107725066

IUPAC2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C10H14N2O3/c1-11-4-5-12-10(15)8-6-7(13)2-3-9(8)14/h2-3,6,11,13-14H,4-5H2,1H3,(H,12,15)
InChIKeyKCZCDYDQRCRTBH-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.05
Rot. Bonds4

About 2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide

2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide (PubChem CID 107725066) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
PubChem CID107725066
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C10H14N2O3/c1-11-4-5-12-10(15)8-6-7(13)2-3-9(8)14/h2-3,6,11,13-14H,4-5H2,1H3,(H,12,15)
InChIKeyKCZCDYDQRCRTBH-UHFFFAOYSA-N
XLogP0.05
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
CID 107725067
N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide
CID 107723701
methyl 4-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 67654054
N-(4-chlorobutyl)-2,5-dihydroxybenzamide
CID 107726261
N-(cyanomethyl)-2,5-dihydroxybenzamide
CID 103892329
2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
CID 43600759
2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 107723898
2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 107722175
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
1-(2,5-dihydroxyphenyl)-2-(methylamino)ethanone
CID 117278643

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide (CID 107725066) is 2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide is CNCCNC(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is KCZCDYDQRCRTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-11-4-5-12-10(15)8-6-7(13)2-3-9(8)14/h2-3,6,11,13-14H,4-5H2,1H3,(H,12,15).
What are the key properties of 2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide?
2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 210.23 g/mol, XLogP of 0.05, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 107725066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).