N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C13H21NO4 — CID 65124056

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2=COCCO2)C1
InChIInChI=1S/C13H21NO4/c1-10-3-2-4-13(16,7-10)9-14-12(15)11-8-17-5-6-18-11/h8,10,16H,2-7,9H2,1H3,(H,14,15)
InChIKeyDVARHKBZKIKUQJ-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.93
Rot. Bonds3

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 65124056) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID65124056
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2=COCCO2)C1
InChIInChI=1S/C13H21NO4/c1-10-3-2-4-13(16,7-10)9-14-12(15)11-8-17-5-6-18-11/h8,10,16H,2-7,9H2,1H3,(H,14,15)
InChIKeyDVARHKBZKIKUQJ-UHFFFAOYSA-N
XLogP0.93
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 65124056) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CC1CCCC(O)(CNC(=O)C2=COCCO2)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is DVARHKBZKIKUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-10-3-2-4-13(16,7-10)9-14-12(15)11-8-17-5-6-18-11/h8,10,16H,2-7,9H2,1H3,(H,14,15).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 255.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 65124056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).