(2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C12H16N2O2 — CID 95991007

IUPAC(2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCNC(=O)N1C[C@@H](C)Oc2cc(C)ccc21
InChIInChI=1S/C12H16N2O2/c1-8-4-5-10-11(6-8)16-9(2)7-14(10)12(15)13-3/h4-6,9H,7H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyFWSAWLIRIYMUOD-SECBINFHSA-N
MW220.27 g/mol
LogP1.92
Rot. Bonds

About (2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

(2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 95991007) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID95991007
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCNC(=O)N1C[C@@H](C)Oc2cc(C)ccc21
InChIInChI=1S/C12H16N2O2/c1-8-4-5-10-11(6-8)16-9(2)7-14(10)12(15)13-3/h4-6,9H,7H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyFWSAWLIRIYMUOD-SECBINFHSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of (2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 95991007) is (2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for (2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for (2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CNC(=O)N1C[C@@H](C)Oc2cc(C)ccc21.
What is the InChIKey of (2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is FWSAWLIRIYMUOD-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-4-5-10-11(6-8)16-9(2)7-14(10)12(15)13-3/h4-6,9H,7H2,1-3H3,(H,13,15)/t9-/m1/s1.
What are the key properties of (2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
(2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,2,7-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 95991007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).