2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C19H22N2O2 — CID 3227666

IUPAC2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCC1CN(C(=O)Nc2cccc(C)c2)c2cc(C)ccc2O1
InChIInChI=1S/C19H22N2O2/c1-4-16-12-21(17-11-14(3)8-9-18(17)23-16)19(22)20-15-7-5-6-13(2)10-15/h5-11,16H,4,12H2,1-3H3,(H,20,22)
InChIKeyLQEHRDHPSSJMCY-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.51
Rot. Bonds2

About 2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 3227666) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID3227666
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCC1CN(C(=O)Nc2cccc(C)c2)c2cc(C)ccc2O1
InChIInChI=1S/C19H22N2O2/c1-4-16-12-21(17-11-14(3)8-9-18(17)23-16)19(22)20-15-7-5-6-13(2)10-15/h5-11,16H,4,12H2,1-3H3,(H,20,22)
InChIKeyLQEHRDHPSSJMCY-UHFFFAOYSA-N
XLogP4.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 3227666) is 2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CCC1CN(C(=O)Nc2cccc(C)c2)c2cc(C)ccc2O1.
What is the InChIKey of 2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is LQEHRDHPSSJMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-16-12-21(17-11-14(3)8-9-18(17)23-16)19(22)20-15-7-5-6-13(2)10-15/h5-11,16H,4,12H2,1-3H3,(H,20,22).
What are the key properties of 2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 3227666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).