N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide

C22H21N3O5 — CID 91476634

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cccc3c(O)n(C4CCC(=O)NC4=O)cc23)c1
InChIInChI=1S/C22H21N3O5/c1-30-15-6-2-4-13(10-15)20(27)23-11-14-5-3-7-16-17(14)12-25(22(16)29)18-8-9-19(26)24-21(18)28/h2-7,10,12,18,29H,8-9,11H2,1H3,(H,23,27)(H,24,26,28)
InChIKeyJQAFCJQGHPXLMQ-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.26
Rot. Bonds5

About N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide

N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide (PubChem CID 91476634) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide
PubChem CID91476634
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cccc3c(O)n(C4CCC(=O)NC4=O)cc23)c1
InChIInChI=1S/C22H21N3O5/c1-30-15-6-2-4-13(10-15)20(27)23-11-14-5-3-7-16-17(14)12-25(22(16)29)18-8-9-19(26)24-21(18)28/h2-7,10,12,18,29H,8-9,11H2,1H3,(H,23,27)(H,24,26,28)
InChIKeyJQAFCJQGHPXLMQ-UHFFFAOYSA-N
XLogP2.26
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 91101971
1-[3-(cyanomethyl)phenyl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]urea
CID 123559413
3-methoxy-N-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]benzamide
CID 696706
2-(3-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide
CID 91539022
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-ethylsulfonylbenzamide
CID 90871517
2-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide
CID 91180408
(3R)-3-[4-(furan-2-ylmethylamino)-1-hydroxyisoindol-2-yl]piperidine-2,6-dione
CID 91575075
4-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide
CID 91394305
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1-oxo-3H-isoindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 177262422
1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]-3-(3-methoxyphenyl)urea
CID 140528236
3-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-4-(2-morpholin-4-ylethyl)benzamide
CID 91537729

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide (CID 91476634) is N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2cccc3c(O)n(C4CCC(=O)NC4=O)cc23)c1.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide?
The InChIKey is JQAFCJQGHPXLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-30-15-6-2-4-13(10-15)20(27)23-11-14-5-3-7-16-17(14)12-25(22(16)29)18-8-9-19(26)24-21(18)28/h2-7,10,12,18,29H,8-9,11H2,1H3,(H,23,27)(H,24,26,28).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide has a molecular weight of 407.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-4-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 91476634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).