N-(2,6-dimethylphenyl)oxolane-2-carboxamide

C13H17NO2 — CID 3155119

IUPACN-(2,6-dimethylphenyl)oxolane-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCO1
InChIInChI=1S/C13H17NO2/c1-9-5-3-6-10(2)12(9)14-13(15)11-7-4-8-16-11/h3,5-6,11H,4,7-8H2,1-2H3,(H,14,15)
InChIKeyVEXODVAYMNODGK-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.42
Rot. Bonds2

About N-(2,6-dimethylphenyl)oxolane-2-carboxamide

N-(2,6-dimethylphenyl)oxolane-2-carboxamide (PubChem CID 3155119) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)oxolane-2-carboxamide
PubChem CID3155119
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(2,6-dimethylphenyl)oxolane-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCO1
InChIInChI=1S/C13H17NO2/c1-9-5-3-6-10(2)12(9)14-13(15)11-7-4-8-16-11/h3,5-6,11H,4,7-8H2,1-2H3,(H,14,15)
InChIKeyVEXODVAYMNODGK-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-ethyl-6-methylphenyl)oxolane-2-carboxamide
CID 887643
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
4-methyl-3-[[(2S)-oxolane-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 104983067
N-(2-bromo-6-fluoro-3-methylphenyl)oxolane-2-carboxamide
CID 122145963
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
CID 8729869
(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396628
(2R)-N-(6-methyl-2-pyridinyl)oxolane-2-carboxamide
CID 40572544
N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634844
N-(2,6-dimethylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbothioamide
CID 27057320
N-phenyloxolane-2-carboxamide
CID 3453643
methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate
CID 114916149

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)oxolane-2-carboxamide (CID 3155119) is N-(2,6-dimethylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)oxolane-2-carboxamide is Cc1cccc(C)c1NC(=O)C1CCCO1.
What is the InChIKey of N-(2,6-dimethylphenyl)oxolane-2-carboxamide?
The InChIKey is VEXODVAYMNODGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-5-3-6-10(2)12(9)14-13(15)11-7-4-8-16-11/h3,5-6,11H,4,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(2,6-dimethylphenyl)oxolane-2-carboxamide?
N-(2,6-dimethylphenyl)oxolane-2-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 3155119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).