4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C18H20N2O2 — CID 164622927

IUPAC4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCc1cccc(C)c1CN1CC(C(N)=O)Oc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-12-6-5-7-13(2)14(12)10-20-11-17(18(19)21)22-16-9-4-3-8-15(16)20/h3-9,17H,10-11H2,1-2H3,(H2,19,21)
InChIKeyJXBOBTYCILJUPV-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.56
Rot. Bonds3

About 4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 164622927) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID164622927
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCc1cccc(C)c1CN1CC(C(N)=O)Oc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-12-6-5-7-13(2)14(12)10-20-11-17(18(19)21)22-16-9-4-3-8-15(16)20/h3-9,17H,10-11H2,1-2H3,(H2,19,21)
InChIKeyJXBOBTYCILJUPV-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 164622927) is 4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is Cc1cccc(C)c1CN1CC(C(N)=O)Oc2ccccc21.
What is the InChIKey of 4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is JXBOBTYCILJUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-6-5-7-13(2)14(12)10-20-11-17(18(19)21)22-16-9-4-3-8-15(16)20/h3-9,17H,10-11H2,1-2H3,(H2,19,21).
What are the key properties of 4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 164622927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).