6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C18H20N2O2 — CID 3238283

IUPAC6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CNc3cc(C)ccc3O2)cc1
InChIInChI=1S/C18H20N2O2/c1-12-3-6-14(7-4-12)10-20-18(21)17-11-19-15-9-13(2)5-8-16(15)22-17/h3-9,17,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyXOJVRKQLRSIQSD-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.79
Rot. Bonds3

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

6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 3238283) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID3238283
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CNc3cc(C)ccc3O2)cc1
InChIInChI=1S/C18H20N2O2/c1-12-3-6-14(7-4-12)10-20-18(21)17-11-19-15-9-13(2)5-8-16(15)22-17/h3-9,17,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyXOJVRKQLRSIQSD-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 3238283) is 6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is Cc1ccc(CNC(=O)C2CNc3cc(C)ccc3O2)cc1.
What is the InChIKey of 6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is XOJVRKQLRSIQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-3-6-14(7-4-12)10-20-18(21)17-11-19-15-9-13(2)5-8-16(15)22-17/h3-9,17,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 3238283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).