N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide

C17H20N2O4 — CID 59290503

IUPACN-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NC2CCCCC2=NO)cc1OC
InChIInChI=1S/C17H20N2O4/c1-3-10-23-15-9-8-12(11-16(15)22-2)17(20)18-13-6-4-5-7-14(13)19-21/h1,8-9,11,13,21H,4-7,10H2,2H3,(H,18,20)
InChIKeyRUFVVBMTLIOLKI-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.21
Rot. Bonds5

About N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide

N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide (PubChem CID 59290503) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide
PubChem CID59290503
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NC2CCCCC2=NO)cc1OC
InChIInChI=1S/C17H20N2O4/c1-3-10-23-15-9-8-12(11-16(15)22-2)17(20)18-13-6-4-5-7-14(13)19-21/h1,8-9,11,13,21H,4-7,10H2,2H3,(H,18,20)
InChIKeyRUFVVBMTLIOLKI-UHFFFAOYSA-N
XLogP2.21
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 57445676
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 59290535
N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445692
ethane;methyl 3-methoxy-4-prop-2-ynoxybenzoate
CID 156726713
N-(3,3-dimethylbutan-2-yl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 59301808
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 9232770
3,4-dimethoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide
CID 90061740
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51958121
N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445710
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide?
The IUPAC name of N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide (CID 59290503) is N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide is C#CCOc1ccc(C(=O)NC2CCCCC2=NO)cc1OC.
What is the InChIKey of N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide?
The InChIKey is RUFVVBMTLIOLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-10-23-15-9-8-12(11-16(15)22-2)17(20)18-13-6-4-5-7-14(13)19-21/h1,8-9,11,13,21H,4-7,10H2,2H3,(H,18,20).
What are the key properties of N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide?
N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide has a molecular weight of 316.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyiminocyclohexyl)-3-methoxy-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 59290503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).