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

C14H18N2O3 — CID 98299823

IUPAC2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide
SMILESC[C@H]1CCCC/C1=N\NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H18N2O3/c1-9-4-2-3-5-12(9)15-16-14(19)11-8-10(17)6-7-13(11)18/h6-9,17-18H,2-5H2,1H3,(H,16,19)/b15-12+/t9-/m0/s1
InChIKeyYJYRRCLPSWMQFB-ODBMRUODSA-N
MW262.31 g/mol
LogP2.39
Rot. Bonds2

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

2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide (PubChem CID 98299823) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide
PubChem CID98299823
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide
SMILESC[C@H]1CCCC/C1=N\NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H18N2O3/c1-9-4-2-3-5-12(9)15-16-14(19)11-8-10(17)6-7-13(11)18/h6-9,17-18H,2-5H2,1H3,(H,16,19)/b15-12+/t9-/m0/s1
InChIKeyYJYRRCLPSWMQFB-ODBMRUODSA-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

2,4-dihydroxy-N-[(Z)-(2-methylcyclohexylidene)amino]benzamide
CID 19916735
2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 129360183
2,5-dihydroxy-N-[(E)-[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 27459585
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide
CID 9351584
N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide
CID 107722905
4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide
CID 6381697
2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide
CID 9214481
5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4626462
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
1-methyl-3-[(Z)-(2-methylcyclohexylidene)amino]thiourea
CID 6380013

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide (CID 98299823) is 2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide is C[C@H]1CCCC/C1=N\NC(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide?
The InChIKey is YJYRRCLPSWMQFB-ODBMRUODSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-4-2-3-5-12(9)15-16-14(19)11-8-10(17)6-7-13(11)18/h6-9,17-18H,2-5H2,1H3,(H,16,19)/b15-12+/t9-/m0/s1.
What are the key properties of 2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide?
2,5-dihydroxy-N-[(E)-[(2S)-2-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)-[(2S)-2-methylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 98299823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).