4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide

C15H22N2O2 — CID 66250388

IUPAC4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide
SMILESCCN(C(=O)C1(C)COCC1N)c1ccccc1C
InChIInChI=1S/C15H22N2O2/c1-4-17(12-8-6-5-7-11(12)2)14(18)15(3)10-19-9-13(15)16/h5-8,13H,4,9-10,16H2,1-3H3
InChIKeyLMUJBDVQBZXVGE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.71
Rot. Bonds3

About 4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide

4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide (PubChem CID 66250388) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide
PubChem CID66250388
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide
SMILESCCN(C(=O)C1(C)COCC1N)c1ccccc1C
InChIInChI=1S/C15H22N2O2/c1-4-17(12-8-6-5-7-11(12)2)14(18)15(3)10-19-9-13(15)16/h5-8,13H,4,9-10,16H2,1-3H3
InChIKeyLMUJBDVQBZXVGE-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide (CID 66250388) is 4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide is CCN(C(=O)C1(C)COCC1N)c1ccccc1C.
What is the InChIKey of 4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide?
The InChIKey is LMUJBDVQBZXVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-17(12-8-6-5-7-11(12)2)14(18)15(3)10-19-9-13(15)16/h5-8,13H,4,9-10,16H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide?
4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-methyl-N-(2-methylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66250388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).