2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide

C26H18N2O4 — CID 17359817

IUPAC2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C26H18N2O4/c29-24(16-31-23-11-5-7-17-6-1-2-8-20(17)23)27-19-14-12-18(13-15-19)25-28-22-10-4-3-9-21(22)26(30)32-25/h1-15H,16H2,(H,27,29)
InChIKeyHGFRHMPLBUUDQZ-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.03
Rot. Bonds5

About 2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide

2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (PubChem CID 17359817) has the molecular formula C26H18N2O4 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
PubChem CID17359817
Molecular FormulaC26H18N2O4
Molecular Weight422.44 g/mol
Exact Mass422.13
IUPAC Name2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C26H18N2O4/c29-24(16-31-23-11-5-7-17-6-1-2-8-20(17)23)27-19-14-12-18(13-15-19)25-28-22-10-4-3-9-21(22)26(30)32-25/h1-15H,16H2,(H,27,29)
InChIKeyHGFRHMPLBUUDQZ-UHFFFAOYSA-N
XLogP5.03
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359810
2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 1331226
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 1026063
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16581002
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-cyanophenoxy)acetamide
CID 24599418
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide
CID 1496876
CID 68568728
CID 68568728
N-[4-(dimethylamino)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2327581
2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide
CID 17359918
(2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide
CID 7374034

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (CID 17359817) is 2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is O=C(COc1cccc2ccccc12)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1.
What is the InChIKey of 2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The InChIKey is HGFRHMPLBUUDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O4/c29-24(16-31-23-11-5-7-17-6-1-2-8-20(17)23)27-19-14-12-18(13-15-19)25-28-22-10-4-3-9-21(22)26(30)32-25/h1-15H,16H2,(H,27,29).
What are the key properties of 2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide has a molecular weight of 422.44 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 17359817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).