4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide

C19H21N3O3 — CID 110793041

IUPAC4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
SMILESCC1Oc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2N(C)C1=O
InChIInChI=1S/C19H21N3O3/c1-12-19(24)22(4)16-11-14(7-10-17(16)25-12)20-18(23)13-5-8-15(9-6-13)21(2)3/h5-12H,1-4H3,(H,20,23)
InChIKeyHUUQPDQGWDCDIZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.75
Rot. Bonds3

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

4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide (PubChem CID 110793041) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
PubChem CID110793041
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
SMILESCC1Oc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2N(C)C1=O
InChIInChI=1S/C19H21N3O3/c1-12-19(24)22(4)16-11-14(7-10-17(16)25-12)20-18(23)13-5-8-15(9-6-13)21(2)3/h5-12H,1-4H3,(H,20,23)
InChIKeyHUUQPDQGWDCDIZ-UHFFFAOYSA-N
XLogP2.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683224
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide
CID 110793039
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)-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131931944
2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide
CID 131945783
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52904676
2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682955
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51065384
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793038

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide (CID 110793041) is 4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide is CC1Oc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2N(C)C1=O.
What is the InChIKey of 4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is HUUQPDQGWDCDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-19(24)22(4)16-11-14(7-10-17(16)25-12)20-18(23)13-5-8-15(9-6-13)21(2)3/h5-12H,1-4H3,(H,20,23).
What are the key properties of 4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide?
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 110793041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).