N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide

C13H18N2O6 — CID 3116836

IUPACN'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC2OC(CO)C(O)C2O)c1
InChIInChI=1S/C13H18N2O6/c1-20-8-4-2-3-7(5-8)12(19)14-15-13-11(18)10(17)9(6-16)21-13/h2-5,9-11,13,15-18H,6H2,1H3,(H,14,19)
InChIKeyIICZVACQCLOELP-UHFFFAOYSA-N
MW298.30 g/mol
LogP-1.63
Rot. Bonds5

About N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide

N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide (PubChem CID 3116836) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide
PubChem CID3116836
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC NameN'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC2OC(CO)C(O)C2O)c1
InChIInChI=1S/C13H18N2O6/c1-20-8-4-2-3-7(5-8)12(19)14-15-13-11(18)10(17)9(6-16)21-13/h2-5,9-11,13,15-18H,6H2,1H3,(H,14,19)
InChIKeyIICZVACQCLOELP-UHFFFAOYSA-N
XLogP-1.63
TPSA120.28 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide
CID 7378080
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
4-methoxy-N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide
CID 57391667
methyl 3-[4-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]benzoate
CID 67111358
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 115764584
N'-(2-cyanoacetyl)-3-methoxybenzohydrazide
CID 3117668
N-methyl-3-[3-methyl-5-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy]benzamide
CID 86697641
N'-(4-aminobenzoyl)-3-methoxybenzohydrazide
CID 684303
3-[4-fluoro-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy]-N-methylbenzamide
CID 86697637
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N'-pentanoylbenzohydrazide
CID 3117671

Frequently Asked Questions

What is the IUPAC name of N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide?
The IUPAC name of N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide (CID 3116836) is N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide?
The canonical SMILES for N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide is COc1cccc(C(=O)NNC2OC(CO)C(O)C2O)c1.
What is the InChIKey of N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide?
The InChIKey is IICZVACQCLOELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-20-8-4-2-3-7(5-8)12(19)14-15-13-11(18)10(17)9(6-16)21-13/h2-5,9-11,13,15-18H,6H2,1H3,(H,14,19).
What are the key properties of N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide?
N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide has a molecular weight of 298.30 g/mol, XLogP of -1.63, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide is sourced from PubChem (CID 3116836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).