N-(2,3-dimethylphenyl)oxane-4-carboxamide

C14H19NO2 — CID 31962553

IUPACN-(2,3-dimethylphenyl)oxane-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCOCC2)c1C
InChIInChI=1S/C14H19NO2/c1-10-4-3-5-13(11(10)2)15-14(16)12-6-8-17-9-7-12/h3-5,12H,6-9H2,1-2H3,(H,15,16)
InChIKeySQOIOAVIOBRTIH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.67
Rot. Bonds2

About N-(2,3-dimethylphenyl)oxane-4-carboxamide

N-(2,3-dimethylphenyl)oxane-4-carboxamide (PubChem CID 31962553) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)oxane-4-carboxamide
PubChem CID31962553
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2,3-dimethylphenyl)oxane-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCOCC2)c1C
InChIInChI=1S/C14H19NO2/c1-10-4-3-5-13(11(10)2)15-14(16)12-6-8-17-9-7-12/h3-5,12H,6-9H2,1-2H3,(H,15,16)
InChIKeySQOIOAVIOBRTIH-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113032358
1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146152
N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
CID 112986425
N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146000
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
(3S)-N-(2,3-dimethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9069926
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide
CID 113093430
3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea
CID 72849512
N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide
CID 112986454

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)oxane-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)oxane-4-carboxamide (CID 31962553) is N-(2,3-dimethylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)oxane-4-carboxamide is Cc1cccc(NC(=O)C2CCOCC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)oxane-4-carboxamide?
The InChIKey is SQOIOAVIOBRTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-4-3-5-13(11(10)2)15-14(16)12-6-8-17-9-7-12/h3-5,12H,6-9H2,1-2H3,(H,15,16).
What are the key properties of N-(2,3-dimethylphenyl)oxane-4-carboxamide?
N-(2,3-dimethylphenyl)oxane-4-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 31962553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).