2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide

C17H20N2O2 — CID 44507631

IUPAC2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide
SMILESC=C(C)[C@@H]1CC=C(/C=N/NC(=O)c2ccccc2O)CC1
InChIInChI=1S/C17H20N2O2/c1-12(2)14-9-7-13(8-10-14)11-18-19-17(21)15-5-3-4-6-16(15)20/h3-7,11,14,20H,1,8-10H2,2H3,(H,19,21)/b18-11+/t14-/m1/s1
InChIKeyMYMAFDGWKQKWQH-XWAFYUISSA-N
MW284.36 g/mol
LogP3.41
Rot. Bonds4

About 2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide

2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide (PubChem CID 44507631) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide
PubChem CID44507631
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide
SMILESC=C(C)[C@@H]1CC=C(/C=N/NC(=O)c2ccccc2O)CC1
InChIInChI=1S/C17H20N2O2/c1-12(2)14-9-7-13(8-10-14)11-18-19-17(21)15-5-3-4-6-16(15)20/h3-7,11,14,20H,1,8-10H2,2H3,(H,19,21)/b18-11+/t14-/m1/s1
InChIKeyMYMAFDGWKQKWQH-XWAFYUISSA-N
XLogP3.41
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-hydroxy-1-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzene-1,3-dicarboxamide
CID 44507584
(E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine
CID 118711638
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxybenzamide
CID 5419171
2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 4683367
N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
CID 793892
2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
CID 174815775
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5417784
2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 4208427

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide (CID 44507631) is 2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide is C=C(C)[C@@H]1CC=C(/C=N/NC(=O)c2ccccc2O)CC1.
What is the InChIKey of 2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide?
The InChIKey is MYMAFDGWKQKWQH-XWAFYUISSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)14-9-7-13(8-10-14)11-18-19-17(21)15-5-3-4-6-16(15)20/h3-7,11,14,20H,1,8-10H2,2H3,(H,19,21)/b18-11+/t14-/m1/s1.
What are the key properties of 2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide?
2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide is sourced from PubChem (CID 44507631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).