N-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide

C17H22N2O2 — CID 5403203

IUPACN-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide
SMILESCC1=CC[C@H](C(C)(C)NC(=O)c2ccccc2)C/C1=N/O
InChIInChI=1S/C17H22N2O2/c1-12-9-10-14(11-15(12)19-21)17(2,3)18-16(20)13-7-5-4-6-8-13/h4-9,14,21H,10-11H2,1-3H3,(H,18,20)/b19-15-/t14-/m0/s1
InChIKeyMOJSZOCWUQBJQM-SQQITKIUSA-N
MW286.38 g/mol
LogP3.38
Rot. Bonds3

About N-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide

N-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide (PubChem CID 5403203) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide
PubChem CID5403203
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide
SMILESCC1=CC[C@H](C(C)(C)NC(=O)c2ccccc2)C/C1=N/O
InChIInChI=1S/C17H22N2O2/c1-12-9-10-14(11-15(12)19-21)17(2,3)18-16(20)13-7-5-4-6-8-13/h4-9,14,21H,10-11H2,1-3H3,(H,18,20)/b19-15-/t14-/m0/s1
InChIKeyMOJSZOCWUQBJQM-SQQITKIUSA-N
XLogP3.38
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide?
The IUPAC name of N-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide (CID 5403203) is N-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide.
What is the SMILES notation for N-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide?
The canonical SMILES for N-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide is CC1=CC[C@H](C(C)(C)NC(=O)c2ccccc2)C/C1=N/O.
What is the InChIKey of N-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide?
The InChIKey is MOJSZOCWUQBJQM-SQQITKIUSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-9-10-14(11-15(12)19-21)17(2,3)18-16(20)13-7-5-4-6-8-13/h4-9,14,21H,10-11H2,1-3H3,(H,18,20)/b19-15-/t14-/m0/s1.
What are the key properties of N-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide?
N-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide has a molecular weight of 286.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,5Z)-5-hydroxyimino-4-methylcyclohex-3-en-1-yl]propan-2-yl]benzamide is sourced from PubChem (CID 5403203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).