N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C14H23NO4 — CID 91652823

IUPACN-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(O)(CNC(=O)C1=COCCO1)C1CCCCC1
InChIInChI=1S/C14H23NO4/c1-14(17,11-5-3-2-4-6-11)10-15-13(16)12-9-18-7-8-19-12/h9,11,17H,2-8,10H2,1H3,(H,15,16)
InChIKeyWPTDFOPYSJUOFN-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.32
Rot. Bonds4

About N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 91652823) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID91652823
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC NameN-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(O)(CNC(=O)C1=COCCO1)C1CCCCC1
InChIInChI=1S/C14H23NO4/c1-14(17,11-5-3-2-4-6-11)10-15-13(16)12-9-18-7-8-19-12/h9,11,17H,2-8,10H2,1H3,(H,15,16)
InChIKeyWPTDFOPYSJUOFN-UHFFFAOYSA-N
XLogP1.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

N-(2-cyclopentyl-2-hydroxypropyl)acetamide
CID 126988295
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 113283661
N-(2-cyclopropyl-2-hydroxypropyl)cyclohexanecarboxamide
CID 90499250
2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid
CID 60826600
1-(2-amino-2-oxoethyl)-N-(2-cyclohexyl-2-hydroxypropyl)triazole-4-carboxamide
CID 126785756
2-(2-chloro-4-hydroxyphenyl)-N-[(2S)-2-cyclohexyl-2-hydroxypropyl]acetamide
CID 99795407
N-(2-cyclopropyl-2-hydroxypropyl)furan-2-carboxamide
CID 52992722
N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-2-ethyl-5-methylsulfonylbenzamide
CID 124855890
N-(azetidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 66185138
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 52907034
N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
CID 90499259
3-[(2-cyclohexyl-2-hydroxypropyl)carbamoylamino]propanoic acid
CID 122018389

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 91652823) is N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CC(O)(CNC(=O)C1=COCCO1)C1CCCCC1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is WPTDFOPYSJUOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(17,11-5-3-2-4-6-11)10-15-13(16)12-9-18-7-8-19-12/h9,11,17H,2-8,10H2,1H3,(H,15,16).
What are the key properties of N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 91652823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).