4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide

C13H18N2O2 — CID 66240994

IUPAC4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide
SMILESCc1cccc(NC(=O)C2COCC2N)c1C
InChIInChI=1S/C13H18N2O2/c1-8-4-3-5-12(9(8)2)15-13(16)10-6-17-7-11(10)14/h3-5,10-11H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyMKEOJMREVQXJRJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.22
Rot. Bonds2

About 4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide

4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide (PubChem CID 66240994) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide
PubChem CID66240994
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide
SMILESCc1cccc(NC(=O)C2COCC2N)c1C
InChIInChI=1S/C13H18N2O2/c1-8-4-3-5-12(9(8)2)15-13(16)10-6-17-7-11(10)14/h3-5,10-11H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyMKEOJMREVQXJRJ-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
CID 114252127
4-amino-N-(3-methoxy-2,4-dimethylphenyl)oxolane-3-carboxamide
CID 66239016
4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide
CID 66239441
4-amino-N-(5-bromo-2-methylphenyl)oxolane-3-carboxamide
CID 66238442
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide
CID 66240231
1-N-(2,3-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140804
(1R,6R)-6-[(2,3-dimethylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7334021
4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide
CID 107574306
4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide
CID 66239424
4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide
CID 66239629
4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211393

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide (CID 66240994) is 4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide is Cc1cccc(NC(=O)C2COCC2N)c1C.
What is the InChIKey of 4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide?
The InChIKey is MKEOJMREVQXJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-4-3-5-12(9(8)2)15-13(16)10-6-17-7-11(10)14/h3-5,10-11H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide?
4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66240994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).