N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C16H24N2O2 — CID 60940120

IUPACN-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCC(N(C)C(=O)C1CNc2ccccc2O1)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-11(16(2,3)4)18(5)15(19)14-10-17-12-8-6-7-9-13(12)20-14/h6-9,11,14,17H,10H2,1-5H3
InChIKeyXXUUOMYUTNCPTG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.75
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 60940120) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID60940120
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCC(N(C)C(=O)C1CNc2ccccc2O1)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-11(16(2,3)4)18(5)15(19)14-10-17-12-8-6-7-9-13(12)20-14/h6-9,11,14,17H,10H2,1-5H3
InChIKeyXXUUOMYUTNCPTG-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 60940120) is N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is CC(N(C)C(=O)C1CNc2ccccc2O1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is XXUUOMYUTNCPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(16(2,3)4)18(5)15(19)14-10-17-12-8-6-7-9-13(12)20-14/h6-9,11,14,17H,10H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 60940120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).