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

C12H19NO4 — CID 64913407

IUPACN-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC1CCCCC1O)C1=COCCO1
InChIInChI=1S/C12H19NO4/c14-10-4-2-1-3-9(10)7-13-12(15)11-8-16-5-6-17-11/h8-10,14H,1-7H2,(H,13,15)
InChIKeyMEBCFHXTLSELEP-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.54
Rot. Bonds3

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

N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 64913407) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID64913407
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC1CCCCC1O)C1=COCCO1
InChIInChI=1S/C12H19NO4/c14-10-4-2-1-3-9(10)7-13-12(15)11-8-16-5-6-17-11/h8-10,14H,1-7H2,(H,13,15)
InChIKeyMEBCFHXTLSELEP-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 64913407) is N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCC1CCCCC1O)C1=COCCO1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is MEBCFHXTLSELEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-10-4-2-1-3-9(10)7-13-12(15)11-8-16-5-6-17-11/h8-10,14H,1-7H2,(H,13,15).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 64913407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).