ethyl 3-(2-methylanilino)oxolane-3-carboxylate

C14H19NO3 — CID 63333123

IUPACethyl 3-(2-methylanilino)oxolane-3-carboxylate
SMILESCCOC(=O)C1(Nc2ccccc2C)CCOC1
InChIInChI=1S/C14H19NO3/c1-3-18-13(16)14(8-9-17-10-14)15-12-7-5-4-6-11(12)2/h4-7,15H,3,8-10H2,1-2H3
InChIKeyNTPONTNISUEWJM-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds4

About ethyl 3-(2-methylanilino)oxolane-3-carboxylate

ethyl 3-(2-methylanilino)oxolane-3-carboxylate (PubChem CID 63333123) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 3-(2-methylanilino)oxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methylanilino)oxolane-3-carboxylate
PubChem CID63333123
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 3-(2-methylanilino)oxolane-3-carboxylate
SMILESCCOC(=O)C1(Nc2ccccc2C)CCOC1
InChIInChI=1S/C14H19NO3/c1-3-18-13(16)14(8-9-17-10-14)15-12-7-5-4-6-11(12)2/h4-7,15H,3,8-10H2,1-2H3
InChIKeyNTPONTNISUEWJM-UHFFFAOYSA-N
XLogP2.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylanilino)oxolane-3-carboxylate?
The IUPAC name of ethyl 3-(2-methylanilino)oxolane-3-carboxylate (CID 63333123) is ethyl 3-(2-methylanilino)oxolane-3-carboxylate.
What is the SMILES notation for ethyl 3-(2-methylanilino)oxolane-3-carboxylate?
The canonical SMILES for ethyl 3-(2-methylanilino)oxolane-3-carboxylate is CCOC(=O)C1(Nc2ccccc2C)CCOC1.
What is the InChIKey of ethyl 3-(2-methylanilino)oxolane-3-carboxylate?
The InChIKey is NTPONTNISUEWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-13(16)14(8-9-17-10-14)15-12-7-5-4-6-11(12)2/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of ethyl 3-(2-methylanilino)oxolane-3-carboxylate?
ethyl 3-(2-methylanilino)oxolane-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylanilino)oxolane-3-carboxylate is sourced from PubChem (CID 63333123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).