2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide

C14H18N2O3 — CID 27459585

IUPAC2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide
SMILESC[C@@H]1CCC/C(=N\NC(=O)c2cc(O)ccc2O)C1
InChIInChI=1S/C14H18N2O3/c1-9-3-2-4-10(7-9)15-16-14(19)12-8-11(17)5-6-13(12)18/h5-6,8-9,17-18H,2-4,7H2,1H3,(H,16,19)/b15-10+/t9-/m1/s1
InChIKeyOIGKIKKZHFAOET-BNXJGPFFSA-N
MW262.31 g/mol
LogP2.39
Rot. Bonds2

About 2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide

2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide (PubChem CID 27459585) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide
PubChem CID27459585
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide
SMILESC[C@@H]1CCC/C(=N\NC(=O)c2cc(O)ccc2O)C1
InChIInChI=1S/C14H18N2O3/c1-9-3-2-4-10(7-9)15-16-14(19)12-8-11(17)5-6-13(12)18/h5-6,8-9,17-18H,2-4,7H2,1H3,(H,16,19)/b15-10+/t9-/m1/s1
InChIKeyOIGKIKKZHFAOET-BNXJGPFFSA-N
XLogP2.39
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4626462
4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 6339655
2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 98299823
2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4165191
2,4-dimethyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 7858354
5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 8978693
N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]oxamide
CID 27492851
N-[(E)-(3-methylcyclohexylidene)amino]acetamide
CID 6385889
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 40543084
2-N,5-N-bis[(E)-(3-methylcyclohexylidene)amino]furan-2,5-dicarboxamide
CID 19579653
2-N,5-N-bis[(Z)-[(3S)-3-methylcyclohexylidene]amino]furan-2,5-dicarboxamide
CID 51900558
5-chloro-2-methoxy-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 27485277

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide (CID 27459585) is 2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide is C[C@@H]1CCC/C(=N\NC(=O)c2cc(O)ccc2O)C1.
What is the InChIKey of 2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide?
The InChIKey is OIGKIKKZHFAOET-BNXJGPFFSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-3-2-4-10(7-9)15-16-14(19)12-8-11(17)5-6-13(12)18/h5-6,8-9,17-18H,2-4,7H2,1H3,(H,16,19)/b15-10+/t9-/m1/s1.
What are the key properties of 2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide?
2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide has a molecular weight of 262.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 27459585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).