N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide

C21H22N2O4 — CID 131945783

IUPACN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)O3)ccc1OC
InChIInChI=1S/C21H22N2O4/c1-5-6-14-11-15(7-9-18(14)26-4)20(24)22-16-8-10-19-17(12-16)23(3)21(25)13(2)27-19/h5,7-13H,1,6H2,2-4H3,(H,22,24)
InChIKeyCEOQFWAVGLVVHU-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.42
Rot. Bonds5

About N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide

N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide (PubChem CID 131945783) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide
PubChem CID131945783
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)O3)ccc1OC
InChIInChI=1S/C21H22N2O4/c1-5-6-14-11-15(7-9-18(14)26-4)20(24)22-16-8-10-19-17(12-16)23(3)21(25)13(2)27-19/h5,7-13H,1,6H2,2-4H3,(H,22,24)
InChIKeyCEOQFWAVGLVVHU-UHFFFAOYSA-N
XLogP3.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683224
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide
CID 110793039
2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide
CID 56700231
N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-1,3-benzodioxole-5-carboxamide
CID 93121507
N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683173
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 131895985
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131931944
2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682955
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide?
The IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide (CID 131945783) is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide.
What is the SMILES notation for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide?
The canonical SMILES for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)O3)ccc1OC.
What is the InChIKey of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide?
The InChIKey is CEOQFWAVGLVVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-5-6-14-11-15(7-9-18(14)26-4)20(24)22-16-8-10-19-17(12-16)23(3)21(25)13(2)27-19/h5,7-13H,1,6H2,2-4H3,(H,22,24).
What are the key properties of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide?
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide has a molecular weight of 366.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide is sourced from PubChem (CID 131945783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).