N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide

C26H22N2O4 — CID 56508324

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide
SMILESO=C1c2ccccc2C(=O)N1c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1
InChIInChI=1S/C26H22N2O4/c29-23-21-11-4-5-12-22(21)24(30)28(23)20-10-6-9-19(17-20)27-25(31)26(13-15-32-16-14-26)18-7-2-1-3-8-18/h1-12,17H,13-16H2,(H,27,31)
InChIKeyHUOIGNZVAXABTQ-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.17
Rot. Bonds4

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide (PubChem CID 56508324) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide
PubChem CID56508324
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide
SMILESO=C1c2ccccc2C(=O)N1c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1
InChIInChI=1S/C26H22N2O4/c29-23-21-11-4-5-12-22(21)24(30)28(23)20-10-6-9-19(17-20)27-25(31)26(13-15-32-16-14-26)18-7-2-1-3-8-18/h1-12,17H,13-16H2,(H,27,31)
InChIKeyHUOIGNZVAXABTQ-UHFFFAOYSA-N
XLogP4.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240738
N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide
CID 27456004
N-[3-(tert-butylsulfamoyl)phenyl]-4-phenyloxane-4-carboxamide
CID 39932989
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide
CID 56763708
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
1-(4-fluorophenyl)-N-(3-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 55979337
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
CID 27455998
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
CID 39904648
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 56508067
3-[(1-phenylcyclopropanecarbonyl)amino]benzamide
CID 51152911

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide (CID 56508324) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide is O=C1c2ccccc2C(=O)N1c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide?
The InChIKey is HUOIGNZVAXABTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c29-23-21-11-4-5-12-22(21)24(30)28(23)20-10-6-9-19(17-20)27-25(31)26(13-15-32-16-14-26)18-7-2-1-3-8-18/h1-12,17H,13-16H2,(H,27,31).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 56508324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).