4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide

C20H23N3O3 — CID 22512827

IUPAC4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide
SMILESCc1ccc2c(c1)N(C(=O)CCC(=O)NCc1cccnc1)CC(C)O2
InChIInChI=1S/C20H23N3O3/c1-14-5-6-18-17(10-14)23(13-15(2)26-18)20(25)8-7-19(24)22-12-16-4-3-9-21-11-16/h3-6,9-11,15H,7-8,12-13H2,1-2H3,(H,22,24)
InChIKeyYWPRELBONMDRHR-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.60
Rot. Bonds5

About 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide

4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 22512827) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide
PubChem CID22512827
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide
SMILESCc1ccc2c(c1)N(C(=O)CCC(=O)NCc1cccnc1)CC(C)O2
InChIInChI=1S/C20H23N3O3/c1-14-5-6-18-17(10-14)23(13-15(2)26-18)20(25)8-7-19(24)22-12-16-4-3-9-21-11-16/h3-6,9-11,15H,7-8,12-13H2,1-2H3,(H,22,24)
InChIKeyYWPRELBONMDRHR-UHFFFAOYSA-N
XLogP2.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide (CID 22512827) is 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide is Cc1ccc2c(c1)N(C(=O)CCC(=O)NCc1cccnc1)CC(C)O2.
What is the InChIKey of 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is YWPRELBONMDRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-5-6-18-17(10-14)23(13-15(2)26-18)20(25)8-7-19(24)22-12-16-4-3-9-21-11-16/h3-6,9-11,15H,7-8,12-13H2,1-2H3,(H,22,24).
What are the key properties of 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 353.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 22512827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).