4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide

C15H22N2O7 — CID 20844228

IUPAC4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C15H22N2O7/c1-2-24-10-5-3-9(4-6-10)15(23)17-16-7-11(19)13(21)14(22)12(20)8-18/h3-7,11-14,18-22H,2,8H2,1H3,(H,17,23)/b16-7+/t11-,12+,13+,14+/m0/s1
InChIKeyHUFUGVLFCQLFHW-NJFKLVBYSA-N
MW342.35 g/mol
LogP-1.76
Rot. Bonds9

About 4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide

4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide (PubChem CID 20844228) has the molecular formula C15H22N2O7 and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide
PubChem CID20844228
Molecular FormulaC15H22N2O7
Molecular Weight342.35 g/mol
Exact Mass342.14
IUPAC Name4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C15H22N2O7/c1-2-24-10-5-3-9(4-6-10)15(23)17-16-7-11(19)13(21)14(22)12(20)8-18/h3-7,11-14,18-22H,2,8H2,1H3,(H,17,23)/b16-7+/t11-,12+,13+,14+/m0/s1
InChIKeyHUFUGVLFCQLFHW-NJFKLVBYSA-N
XLogP-1.76
TPSA151.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 5-1.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide with MolForge

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Related Compounds

1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
2-(4-fluoroanilino)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide
CID 3786859
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(Z)-[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide
CID 7350448
N-(2,3-dihydroxypropyl)-4-ethoxybenzamide
CID 66176423
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4315276
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide?
The IUPAC name of 4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide (CID 20844228) is 4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide is CCOc1ccc(C(=O)N/N=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide?
The InChIKey is HUFUGVLFCQLFHW-NJFKLVBYSA-N. The full InChI is InChI=1S/C15H22N2O7/c1-2-24-10-5-3-9(4-6-10)15(23)17-16-7-11(19)13(21)14(22)12(20)8-18/h3-7,11-14,18-22H,2,8H2,1H3,(H,17,23)/b16-7+/t11-,12+,13+,14+/m0/s1.
What are the key properties of 4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide?
4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide has a molecular weight of 342.35 g/mol, XLogP of -1.76, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide is sourced from PubChem (CID 20844228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).