2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide

C13H18N2O2 — CID 9077909

IUPAC2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
SMILESCC[C@@H](C)/C(C)=N\NC(=O)c1ccccc1O
InChIInChI=1S/C13H18N2O2/c1-4-9(2)10(3)14-15-13(17)11-7-5-6-8-12(11)16/h5-9,16H,4H2,1-3H3,(H,15,17)/b14-10-/t9-/m1/s1
InChIKeyPVKDHBAPRFYWSG-OLULMYBYSA-N
MW234.30 g/mol
LogP2.54
Rot. Bonds4

About 2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide

2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide (PubChem CID 9077909) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
PubChem CID9077909
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
SMILESCC[C@@H](C)/C(C)=N\NC(=O)c1ccccc1O
InChIInChI=1S/C13H18N2O2/c1-4-9(2)10(3)14-15-13(17)11-7-5-6-8-12(11)16/h5-9,16H,4H2,1-3H3,(H,15,17)/b14-10-/t9-/m1/s1
InChIKeyPVKDHBAPRFYWSG-OLULMYBYSA-N
XLogP2.54
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-bromo-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9016507
5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9297750
N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide
CID 91942826
5-(benzylsulfamoyl)-2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 8978679
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 7392702
3-methyl-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-1-benzofuran-2-carboxamide
CID 9464531
diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate
CID 3619400
2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide
CID 177387060
N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 3390969
2-hydroxy-N-(2-methylpentan-3-yl)benzamide
CID 61465472
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide (CID 9077909) is 2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide is CC[C@@H](C)/C(C)=N\NC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide?
The InChIKey is PVKDHBAPRFYWSG-OLULMYBYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-9(2)10(3)14-15-13(17)11-7-5-6-8-12(11)16/h5-9,16H,4H2,1-3H3,(H,15,17)/b14-10-/t9-/m1/s1.
What are the key properties of 2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide?
2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide has a molecular weight of 234.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide is sourced from PubChem (CID 9077909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).