N-(3,5-dimethylphenyl)oxolane-3-carboxamide

C13H17NO2 — CID 47443287

IUPACN-(3,5-dimethylphenyl)oxolane-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCOC2)c1
InChIInChI=1S/C13H17NO2/c1-9-5-10(2)7-12(6-9)14-13(15)11-3-4-16-8-11/h5-7,11H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyZXNTUBPSUSLYCC-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.28
Rot. Bonds2

About N-(3,5-dimethylphenyl)oxolane-3-carboxamide

N-(3,5-dimethylphenyl)oxolane-3-carboxamide (PubChem CID 47443287) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)oxolane-3-carboxamide
PubChem CID47443287
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(3,5-dimethylphenyl)oxolane-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCOC2)c1
InChIInChI=1S/C13H17NO2/c1-9-5-10(2)7-12(6-9)14-13(15)11-3-4-16-8-11/h5-7,11H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyZXNTUBPSUSLYCC-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147
N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide
CID 116813691
N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126467627
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide
CID 61272365
(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 27242204
N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide
CID 130752406
3-chloro-5-(oxolane-3-carbonylamino)benzoic acid
CID 81361980
methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate
CID 61278907
(3S)-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]oxane-3-carboxamide
CID 124622464
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)oxolane-3-carboxamide (CID 47443287) is N-(3,5-dimethylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)oxolane-3-carboxamide is Cc1cc(C)cc(NC(=O)C2CCOC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)oxolane-3-carboxamide?
The InChIKey is ZXNTUBPSUSLYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-5-10(2)7-12(6-9)14-13(15)11-3-4-16-8-11/h5-7,11H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of N-(3,5-dimethylphenyl)oxolane-3-carboxamide?
N-(3,5-dimethylphenyl)oxolane-3-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 47443287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).