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

C24H20N2O4 — CID 17359643

IUPACN-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1
InChIInChI=1S/C24H20N2O4/c1-2-14-29-19-12-10-16(11-13-19)22(27)25-18-7-5-6-17(15-18)23-26-21-9-4-3-8-20(21)24(28)30-23/h3-13,15H,2,14H2,1H3,(H,25,27)
InChIKeyFPIOFOKBSXSOFW-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.90
Rot. Bonds6

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

N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide (PubChem CID 17359643) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide
PubChem CID17359643
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1
InChIInChI=1S/C24H20N2O4/c1-2-14-29-19-12-10-16(11-13-19)22(27)25-18-7-5-6-17(15-18)23-26-21-9-4-3-8-20(21)24(28)30-23/h3-13,15H,2,14H2,1H3,(H,25,27)
InChIKeyFPIOFOKBSXSOFW-UHFFFAOYSA-N
XLogP4.90
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]carbamoyl]phenyl] propanoate
CID 17359655
3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17359640
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-propoxybenzamide
CID 2285189
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-4-propoxybenzamide
CID 23937296
2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 2996600
4-heptoxy-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3126596
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 1331226
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 6496846
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
CID 3131474
2,4-dichloro-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17296891
4-heptoxy-N-[3-(2-oxochromen-3-yl)phenyl]benzamide
CID 3126595

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide?
The IUPAC name of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide (CID 17359643) is N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide?
The canonical SMILES for N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1.
What is the InChIKey of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide?
The InChIKey is FPIOFOKBSXSOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-2-14-29-19-12-10-16(11-13-19)22(27)25-18-7-5-6-17(15-18)23-26-21-9-4-3-8-20(21)24(28)30-23/h3-13,15H,2,14H2,1H3,(H,25,27).
What are the key properties of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide?
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide has a molecular weight of 400.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 17359643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).