N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide

C13H18N2O5 — CID 7350448

IUPACN-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide
SMILESC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N\NC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O5/c1-8(16)11(18)12(19)10(17)7-14-15-13(20)9-5-3-2-4-6-9/h2-8,10-12,16-19H,1H3,(H,15,20)/b14-7-/t8-,10-,11-,12-/m1/s1
InChIKeyMZVJRHTWHFSWNB-VLIFQGRZSA-N
MW282.30 g/mol
LogP-1.13
Rot. Bonds6

About N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide

N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide (PubChem CID 7350448) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide
PubChem CID7350448
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide
SMILESC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N\NC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O5/c1-8(16)11(18)12(19)10(17)7-14-15-13(20)9-5-3-2-4-6-9/h2-8,10-12,16-19H,1H3,(H,15,20)/b14-7-/t8-,10-,11-,12-/m1/s1
InChIKeyMZVJRHTWHFSWNB-VLIFQGRZSA-N
XLogP-1.13
TPSA122.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide?
The IUPAC name of N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide (CID 7350448) is N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide.
What is the SMILES notation for N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide?
The canonical SMILES for N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide is C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N\NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide?
The InChIKey is MZVJRHTWHFSWNB-VLIFQGRZSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-8(16)11(18)12(19)10(17)7-14-15-13(20)9-5-3-2-4-6-9/h2-8,10-12,16-19H,1H3,(H,15,20)/b14-7-/t8-,10-,11-,12-/m1/s1.
What are the key properties of N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide?
N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide has a molecular weight of 282.30 g/mol, XLogP of -1.13, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide is sourced from PubChem (CID 7350448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).