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

C12H19NO4 — CID 65113714

IUPACN-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1=COCCO1
InChIInChI=1S/C12H19NO4/c14-11(10-8-16-6-7-17-10)13-9-12(15)4-2-1-3-5-12/h8,15H,1-7,9H2,(H,13,14)
InChIKeyYPNYUNAMSJDTSR-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.69
Rot. Bonds3

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

N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 65113714) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID65113714
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1=COCCO1
InChIInChI=1S/C12H19NO4/c14-11(10-8-16-6-7-17-10)13-9-12(15)4-2-1-3-5-12/h8,15H,1-7,9H2,(H,13,14)
InChIKeyYPNYUNAMSJDTSR-UHFFFAOYSA-N
XLogP0.69
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 100701479
N-(2-hydroxycyclohexyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 62360697
N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 62520557
N-[(1-hydroxycyclopentyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 64195512
N-[(1-hydroxycycloheptyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 64459713
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 64867846
N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 64913407
N-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65114065
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65119156
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65119326
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65124056
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65124082

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 65113714) is N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCC1(O)CCCCC1)C1=COCCO1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is YPNYUNAMSJDTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(10-8-16-6-7-17-10)13-9-12(15)4-2-1-3-5-12/h8,15H,1-7,9H2,(H,13,14).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 65113714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).