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

C14H23NO4 — CID 65119326

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2=COCCO2)CC1
InChIInChI=1S/C14H23NO4/c1-13(2)3-5-14(17,6-4-13)10-15-12(16)11-9-18-7-8-19-11/h9,17H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyTUUWADDQDNNOMF-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.32
Rot. Bonds3

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

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 65119326) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID65119326
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2=COCCO2)CC1
InChIInChI=1S/C14H23NO4/c1-13(2)3-5-14(17,6-4-13)10-15-12(16)11-9-18-7-8-19-11/h9,17H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyTUUWADDQDNNOMF-UHFFFAOYSA-N
XLogP1.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 65119326) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CC1(C)CCC(O)(CNC(=O)C2=COCCO2)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is TUUWADDQDNNOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-13(2)3-5-14(17,6-4-13)10-15-12(16)11-9-18-7-8-19-11/h9,17H,3-8,10H2,1-2H3,(H,15,16).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 65119326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).