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

C14H23NO4 — CID 65124082

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCC1CCC(O)(CNC(=O)C2=COCCO2)CC1
InChIInChI=1S/C14H23NO4/c1-2-11-3-5-14(17,6-4-11)10-15-13(16)12-9-18-7-8-19-12/h9,11,17H,2-8,10H2,1H3,(H,15,16)
InChIKeyRHLSCPKCDPXJRT-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.32
Rot. Bonds4

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

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 65124082) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID65124082
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCC1CCC(O)(CNC(=O)C2=COCCO2)CC1
InChIInChI=1S/C14H23NO4/c1-2-11-3-5-14(17,6-4-11)10-15-13(16)12-9-18-7-8-19-12/h9,11,17H,2-8,10H2,1H3,(H,15,16)
InChIKeyRHLSCPKCDPXJRT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(cyclopentylmethyl)-3-hydroxypropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 100701479
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-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 64913407
N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65113714
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65119156
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 65119159
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65119326
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 65121473
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65124056
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65905093
N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 66179126

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 65124082) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CCC1CCC(O)(CNC(=O)C2=COCCO2)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is RHLSCPKCDPXJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-11-3-5-14(17,6-4-11)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-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-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-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 65124082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).