3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone

C18H19NO2 — CID 116550292

IUPAC3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2CNc3ccccc3O2)c1
InChIInChI=1S/C18H19NO2/c1-2-6-13-7-5-8-14(11-13)18(20)17-12-19-15-9-3-4-10-16(15)21-17/h3-5,7-11,17,19H,2,6,12H2,1H3
InChIKeyULNFMZIFHILKPJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.69
Rot. Bonds4

About 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone

3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone (PubChem CID 116550292) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone
PubChem CID116550292
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)C2CNc3ccccc3O2)c1
InChIInChI=1S/C18H19NO2/c1-2-6-13-7-5-8-14(11-13)18(20)17-12-19-15-9-3-4-10-16(15)21-17/h3-5,7-11,17,19H,2,6,12H2,1H3
InChIKeyULNFMZIFHILKPJ-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone (CID 116550292) is 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone is CCCc1cccc(C(=O)C2CNc3ccccc3O2)c1.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone?
The InChIKey is ULNFMZIFHILKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-6-13-7-5-8-14(11-13)18(20)17-12-19-15-9-3-4-10-16(15)21-17/h3-5,7-11,17,19H,2,6,12H2,1H3.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone?
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-propylphenyl)methanone is sourced from PubChem (CID 116550292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).