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

C26H18N2O3 — CID 17359810

IUPAC2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C26H18N2O3/c29-24(16-19-8-5-7-17-6-1-2-9-21(17)19)27-20-14-12-18(13-15-20)25-28-23-11-4-3-10-22(23)26(30)31-25/h1-15H,16H2,(H,27,29)
InChIKeyJYIAYCRIFVILCC-UHFFFAOYSA-N
MW406.44 g/mol
LogP5.19
Rot. Bonds4

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

2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (PubChem CID 17359810) has the molecular formula C26H18N2O3 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
PubChem CID17359810
Molecular FormulaC26H18N2O3
Molecular Weight406.44 g/mol
Exact Mass406.13
IUPAC Name2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C26H18N2O3/c29-24(16-19-8-5-7-17-6-1-2-9-21(17)19)27-20-14-12-18(13-15-20)25-28-23-11-4-3-10-22(23)26(30)31-25/h1-15H,16H2,(H,27,29)
InChIKeyJYIAYCRIFVILCC-UHFFFAOYSA-N
XLogP5.19
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-1-yloxy-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359817
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
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
CID 68568728
CID 68568728
2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359646
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
CID 839397
2-(4-nitrophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359672
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 1331218
2-(4-chlorophenoxy)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
CID 17359912
2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 1331226
N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide
CID 1381906

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (CID 17359810) is 2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is O=C(Cc1cccc2ccccc12)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The InChIKey is JYIAYCRIFVILCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O3/c29-24(16-19-8-5-7-17-6-1-2-9-21(17)19)27-20-14-12-18(13-15-20)25-28-23-11-4-3-10-22(23)26(30)31-25/h1-15H,16H2,(H,27,29).
What are the key properties of 2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide has a molecular weight of 406.44 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 17359810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).