4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide

C25H25N3O4 — CID 56567681

IUPAC4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
SMILESO=C(CCC(=O)N1CCOc2ccccc21)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C25H25N3O4/c29-24(11-12-25(30)28-14-15-31-23-10-2-1-9-22(23)28)27-17-19-6-5-8-21(16-19)32-18-20-7-3-4-13-26-20/h1-10,13,16H,11-12,14-15,17-18H2,(H,27,29)
InChIKeyVOJKZEFQOMUARL-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.48
Rot. Bonds8

About 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide

4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide (PubChem CID 56567681) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
PubChem CID56567681
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
SMILESO=C(CCC(=O)N1CCOc2ccccc21)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C25H25N3O4/c29-24(11-12-25(30)28-14-15-31-23-10-2-1-9-22(23)28)27-17-19-6-5-8-21(16-19)32-18-20-7-3-4-13-26-20/h1-10,13,16H,11-12,14-15,17-18H2,(H,27,29)
InChIKeyVOJKZEFQOMUARL-UHFFFAOYSA-N
XLogP3.48
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide with MolForge

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Related Compounds

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55714430
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxobutanamide
CID 56562872
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]butanamide
CID 56567608
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propanamide
CID 55709557
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 56564886
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 56564447
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(4-methylsulfonylphenyl)methyl]-4-oxobutanamide
CID 56567258
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 6625516
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110712924
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
3-(5-phenylfuran-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propanamide
CID 46481923
2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide
CID 46470248

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide (CID 56567681) is 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide is O=C(CCC(=O)N1CCOc2ccccc21)NCc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide?
The InChIKey is VOJKZEFQOMUARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c29-24(11-12-25(30)28-14-15-31-23-10-2-1-9-22(23)28)27-17-19-6-5-8-21(16-19)32-18-20-7-3-4-13-26-20/h1-10,13,16H,11-12,14-15,17-18H2,(H,27,29).
What are the key properties of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide?
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide has a molecular weight of 431.49 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 56567681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).