N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide

C19H20N2O3 — CID 110790097

IUPACN-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
SMILESCC1Oc2ccc(CCNC(=O)c3ccccc3)cc2N(C)C1=O
InChIInChI=1S/C19H20N2O3/c1-13-19(23)21(2)16-12-14(8-9-17(16)24-13)10-11-20-18(22)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyASIRZWIPPAQNOC-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.40
Rot. Bonds4

About N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide

N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide (PubChem CID 110790097) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
PubChem CID110790097
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
SMILESCC1Oc2ccc(CCNC(=O)c3ccccc3)cc2N(C)C1=O
InChIInChI=1S/C19H20N2O3/c1-13-19(23)21(2)16-12-14(8-9-17(16)24-13)10-11-20-18(22)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyASIRZWIPPAQNOC-UHFFFAOYSA-N
XLogP2.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683181
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]acetamide
CID 110783694
6-[2-(dimethylsulfamoylamino)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine
CID 110790116
6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714874
2-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methylamino]acetic acid
CID 82501420
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683173
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide
CID 110783721
5-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)pentanal
CID 82255670
N-[(2-chlorophenyl)methyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683170
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide
CID 110783702

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide?
The IUPAC name of N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide (CID 110790097) is N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide is CC1Oc2ccc(CCNC(=O)c3ccccc3)cc2N(C)C1=O.
What is the InChIKey of N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide?
The InChIKey is ASIRZWIPPAQNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-19(23)21(2)16-12-14(8-9-17(16)24-13)10-11-20-18(22)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide?
N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide has a molecular weight of 324.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide is sourced from PubChem (CID 110790097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).