N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

C18H25NO4 — CID 86911892

IUPACN-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC2CCC(O)CC2)cc(OC)c1OC
InChIInChI=1S/C18H25NO4/c1-4-5-12-10-13(11-16(22-2)17(12)23-3)18(21)19-14-6-8-15(20)9-7-14/h4,10-11,14-15,20H,1,5-9H2,2-3H3,(H,19,21)
InChIKeyWETKJVYGONDMBW-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.47
Rot. Bonds6

About N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide

N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 86911892) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID86911892
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC NameN-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC2CCC(O)CC2)cc(OC)c1OC
InChIInChI=1S/C18H25NO4/c1-4-5-12-10-13(11-16(22-2)17(12)23-3)18(21)19-14-6-8-15(20)9-7-14/h4,10-11,14-15,20H,1,5-9H2,2-3H3,(H,19,21)
InChIKeyWETKJVYGONDMBW-UHFFFAOYSA-N
XLogP2.47
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide
CID 75450076
3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43046830
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562615
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
N-(3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18276892
3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
CID 78767621
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562614
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
CID 155945725
3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide
CID 55451236
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 86911892) is N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NC2CCC(O)CC2)cc(OC)c1OC.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is WETKJVYGONDMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-4-5-12-10-13(11-16(22-2)17(12)23-3)18(21)19-14-6-8-15(20)9-7-14/h4,10-11,14-15,20H,1,5-9H2,2-3H3,(H,19,21).
What are the key properties of N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 319.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 86911892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).