N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide

C18H25NO3 — CID 111462854

IUPACN-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide
SMILESCC(C)=CCOc1cccc(C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C18H25NO3/c1-13(2)10-11-22-17-5-3-4-14(12-17)18(21)19-15-6-8-16(20)9-7-15/h3-5,10,12,15-16,20H,6-9,11H2,1-2H3,(H,19,21)
InChIKeyHFTOSZYGRJHPBD-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.06
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide

N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide (PubChem CID 111462854) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide
PubChem CID111462854
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide
SMILESCC(C)=CCOc1cccc(C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C18H25NO3/c1-13(2)10-11-22-17-5-3-4-14(12-17)18(21)19-15-6-8-16(20)9-7-15/h3-5,10,12,15-16,20H,6-9,11H2,1-2H3,(H,19,21)
InChIKeyHFTOSZYGRJHPBD-UHFFFAOYSA-N
XLogP3.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide (CID 111462854) is N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide is CC(C)=CCOc1cccc(C(=O)NC2CCC(O)CC2)c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide?
The InChIKey is HFTOSZYGRJHPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(2)10-11-22-17-5-3-4-14(12-17)18(21)19-15-6-8-16(20)9-7-15/h3-5,10,12,15-16,20H,6-9,11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide?
N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide has a molecular weight of 303.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide is sourced from PubChem (CID 111462854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).