4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide

C14H20N2O2 — CID 66250197

IUPAC4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1(C)COCC1N
InChIInChI=1S/C14H20N2O2/c1-3-10-6-4-5-7-11(10)16-13(17)14(2)9-18-8-12(14)15/h4-7,12H,3,8-9,15H2,1-2H3,(H,16,17)
InChIKeyJMYKIYNAPNUTMV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.55
Rot. Bonds3

About 4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide

4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide (PubChem CID 66250197) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide
PubChem CID66250197
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1(C)COCC1N
InChIInChI=1S/C14H20N2O2/c1-3-10-6-4-5-7-11(10)16-13(17)14(2)9-18-8-12(14)15/h4-7,12H,3,8-9,15H2,1-2H3,(H,16,17)
InChIKeyJMYKIYNAPNUTMV-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(methoxymethyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66248648
4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66249041
2-amino-N-(2-ethylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82765748
4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249432
4-amino-3-methyl-N-(naphthalen-1-ylmethyl)oxolane-3-carboxamide
CID 66263037
4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249241
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide
CID 66248237
4-amino-N-(4-ethoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248425
2-amino-1-methyl-N-(2-propylphenyl)cyclopentane-1-carboxamide
CID 82764407
4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66248831
1-(aminomethyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 80587108

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide (CID 66250197) is 4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide is CCc1ccccc1NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide?
The InChIKey is JMYKIYNAPNUTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-10-6-4-5-7-11(10)16-13(17)14(2)9-18-8-12(14)15/h4-7,12H,3,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).