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

C14H20N2O2 — CID 66248237

IUPAC4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide
SMILESCc1ccc(NC(=O)C2(C)COCC2N)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-9-4-5-11(10(2)6-9)16-13(17)14(3)8-18-7-12(14)15/h4-6,12H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyFYGGXUCMIRKPER-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.61
Rot. Bonds2

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

4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide (PubChem CID 66248237) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide
PubChem CID66248237
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide
SMILESCc1ccc(NC(=O)C2(C)COCC2N)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-9-4-5-11(10(2)6-9)16-13(17)14(3)8-18-7-12(14)15/h4-6,12H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyFYGGXUCMIRKPER-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide
CID 107592357
4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide
CID 66263329
4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 66248181
4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66249041
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
4-amino-N-[2-(methoxymethyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66248648
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
CID 66250424
4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide
CID 66250431
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544
4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66248831

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide (CID 66248237) is 4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide is Cc1ccc(NC(=O)C2(C)COCC2N)c(C)c1.
What is the InChIKey of 4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide?
The InChIKey is FYGGXUCMIRKPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-4-5-11(10(2)6-9)16-13(17)14(3)8-18-7-12(14)15/h4-6,12H,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66248237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).