2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide

C17H18N2O3 — CID 39746115

IUPAC2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide
SMILESNC(=O)COc1ccccc1CN1CCOc2ccccc21
InChIInChI=1S/C17H18N2O3/c18-17(20)12-22-15-7-3-1-5-13(15)11-19-9-10-21-16-8-4-2-6-14(16)19/h1-8H,9-12H2,(H2,18,20)
InChIKeyQXKGRADWHMDDQT-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.95
Rot. Bonds5

About 2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide

2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide (PubChem CID 39746115) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide
PubChem CID39746115
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide
SMILESNC(=O)COc1ccccc1CN1CCOc2ccccc21
InChIInChI=1S/C17H18N2O3/c18-17(20)12-22-15-7-3-1-5-13(15)11-19-9-10-21-16-8-4-2-6-14(16)19/h1-8H,9-12H2,(H2,18,20)
InChIKeyQXKGRADWHMDDQT-UHFFFAOYSA-N
XLogP1.95
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methanamine
CID 119054381
4-[(2-phenylmethoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 89444618
2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid
CID 117220789
4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-1,2-thiazol-5-amine
CID 117216388
3-chloro-4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)benzoic acid
CID 117219287
methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate
CID 33449348
4-(2,3-dihydro-1,4-benzoxazin-4-yl)butanoic acid
CID 119134717
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide
CID 110729888
2-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethoxy]benzonitrile
CID 31921669
3-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)aniline
CID 119030808
1-(azepan-1-yl)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 110754927
4-[2-(2,3-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine
CID 11403808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide (CID 39746115) is 2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide is NC(=O)COc1ccccc1CN1CCOc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide?
The InChIKey is QXKGRADWHMDDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-17(20)12-22-15-7-3-1-5-13(15)11-19-9-10-21-16-8-4-2-6-14(16)19/h1-8H,9-12H2,(H2,18,20).
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide?
2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide has a molecular weight of 298.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide is sourced from PubChem (CID 39746115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).