5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide

C22H18N2O5 — CID 9314148

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCc1ccco1
InChIInChI=1S/C22H18N2O5/c1-28-19-9-8-14(11-18(19)20(25)23-12-15-5-4-10-29-15)13-24-21(26)16-6-2-3-7-17(16)22(24)27/h2-11H,12-13H2,1H3,(H,23,25)
InChIKeyWADGKPNVSQVWQO-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.01
Rot. Bonds6

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide (PubChem CID 9314148) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
PubChem CID9314148
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCc1ccco1
InChIInChI=1S/C22H18N2O5/c1-28-19-9-8-14(11-18(19)20(25)23-12-15-5-4-10-29-15)13-24-21(26)16-6-2-3-7-17(16)22(24)27/h2-11H,12-13H2,1H3,(H,23,25)
InChIKeyWADGKPNVSQVWQO-UHFFFAOYSA-N
XLogP3.01
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide
CID 46475624
methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate
CID 166435048
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 55659737
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 55722025
5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 110761322
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55814705
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
CID 41365655
N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide (CID 9314148) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCc1ccco1.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The InChIKey is WADGKPNVSQVWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-28-19-9-8-14(11-18(19)20(25)23-12-15-5-4-10-29-15)13-24-21(26)16-6-2-3-7-17(16)22(24)27/h2-11H,12-13H2,1H3,(H,23,25).
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide has a molecular weight of 390.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide is sourced from PubChem (CID 9314148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).