3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

C29H23N3O5 — CID 55877403

IUPAC3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C29H23N3O5/c33-26(30-16-20-5-3-6-22(15-20)27(34)31-17-23-7-4-14-37-23)21-12-10-19(11-13-21)18-32-28(35)24-8-1-2-9-25(24)29(32)36/h1-15H,16-18H2,(H,30,33)(H,31,34)
InChIKeyDIJUCPGFFCLVTE-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.94
Rot. Bonds8

About 3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55877403) has the molecular formula C29H23N3O5 and a molecular weight of 493.52 g/mol. Its IUPAC name is 3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID55877403
Molecular FormulaC29H23N3O5
Molecular Weight493.52 g/mol
Exact Mass493.16
IUPAC Name3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C29H23N3O5/c33-26(30-16-20-5-3-6-22(15-20)27(34)31-17-23-7-4-14-37-23)21-12-10-19(11-13-21)18-32-28(35)24-8-1-2-9-25(24)29(32)36/h1-15H,16-18H2,(H,30,33)(H,31,34)
InChIKeyDIJUCPGFFCLVTE-UHFFFAOYSA-N
XLogP3.94
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(11S)-5-benzyl-N-(furan-2-ylmethyl)-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 92663103
N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2204091
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide
CID 55838537
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 55364200
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 9314148
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 55416490
3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877392
N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 60529812
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
4-[[[4-chloro-1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1408275

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 55877403) is 3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is DIJUCPGFFCLVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O5/c33-26(30-16-20-5-3-6-22(15-20)27(34)31-17-23-7-4-14-37-23)21-12-10-19(11-13-21)18-32-28(35)24-8-1-2-9-25(24)29(32)36/h1-15H,16-18H2,(H,30,33)(H,31,34).
What are the key properties of 3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 493.52 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55877403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).