N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C14H17NO3 — CID 18077698

IUPACN-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)C2=COCCO2)c(C)c1
InChIInChI=1S/C14H17NO3/c1-9-6-10(2)13(11(3)7-9)15-14(16)12-8-17-4-5-18-12/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyZENUXNRIRYLTMC-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.44
Rot. Bonds2

About N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 18077698) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID18077698
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)C2=COCCO2)c(C)c1
InChIInChI=1S/C14H17NO3/c1-9-6-10(2)13(11(3)7-9)15-14(16)12-8-17-4-5-18-12/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyZENUXNRIRYLTMC-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 10878014
3-Hydroxy-8-methylquinolin-2(1H)-one
CID 44157498
3-Hydroxy-6-methylquinolin-2(1H)-one
CID 24972975
[N-(2,6-dimethylphenyl)carbamoyl]methyl acetate
CID 716418
Ethyl ((2,6-dimethylphenyl)carbamoyl)formate
CID 366750
2(1H)-Quinolinone, 3-methoxy-
CID 820270
3-hydroxyquinolin-2(1H)-one, 17
CID 44157569
[2-(2-Butan-2-ylanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 4384517
N-(4-cyanophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16552510
N-(2-tert-butylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17477332
2-methoxy-N-(2,4,6-trimethylphenyl)acetamide
CID 836500
[2-Oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7825476

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 18077698) is N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is Cc1cc(C)c(NC(=O)C2=COCCO2)c(C)c1.
What is the InChIKey of N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is ZENUXNRIRYLTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-6-10(2)13(11(3)7-9)15-14(16)12-8-17-4-5-18-12/h6-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 18077698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).