2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide

C13H18N2O2 — CID 67149823

IUPAC2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1C=CC2=C(C1)CN(C)CO2
InChIInChI=1S/C13H18N2O2/c1-9(2)13(16)14-11-4-5-12-10(6-11)7-15(3)8-17-12/h4-5,11H,1,6-8H2,2-3H3,(H,14,16)
InChIKeyRLNXFMGRSDKZTK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.18
Rot. Bonds2

About 2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide

2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide (PubChem CID 67149823) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide
PubChem CID67149823
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1C=CC2=C(C1)CN(C)CO2
InChIInChI=1S/C13H18N2O2/c1-9(2)13(16)14-11-4-5-12-10(6-11)7-15(3)8-17-12/h4-5,11H,1,6-8H2,2-3H3,(H,14,16)
InChIKeyRLNXFMGRSDKZTK-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide (CID 67149823) is 2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide is C=C(C)C(=O)NC1C=CC2=C(C1)CN(C)CO2.
What is the InChIKey of 2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide?
The InChIKey is RLNXFMGRSDKZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)13(16)14-11-4-5-12-10(6-11)7-15(3)8-17-12/h4-5,11H,1,6-8H2,2-3H3,(H,14,16).
What are the key properties of 2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide?
2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide has a molecular weight of 234.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1,3-benzoxazin-6-yl)prop-2-enamide is sourced from PubChem (CID 67149823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).