2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide

C29H25N3O6 — CID 142665259

IUPAC2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide
SMILESCOc1ccc(N2Cc3ccc(C(=O)NN4C(=O)c5ccccc5C4=O)cc3C2=O)cc1OC1CCCC1
InChIInChI=1S/C29H25N3O6/c1-37-24-13-12-19(15-25(24)38-20-6-2-3-7-20)31-16-18-11-10-17(14-23(18)27(31)34)26(33)30-32-28(35)21-8-4-5-9-22(21)29(32)36/h4-5,8-15,20H,2-3,6-7,16H2,1H3,(H,30,33)
InChIKeySHQRZDZHDSYQSF-UHFFFAOYSA-N
MW511.53 g/mol
LogP4.12
Rot. Bonds6

About 2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide

2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide (PubChem CID 142665259) has the molecular formula C29H25N3O6 and a molecular weight of 511.53 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide
PubChem CID142665259
Molecular FormulaC29H25N3O6
Molecular Weight511.53 g/mol
Exact Mass511.17
IUPAC Name2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide
SMILESCOc1ccc(N2Cc3ccc(C(=O)NN4C(=O)c5ccccc5C4=O)cc3C2=O)cc1OC1CCCC1
InChIInChI=1S/C29H25N3O6/c1-37-24-13-12-19(15-25(24)38-20-6-2-3-7-20)31-16-18-11-10-17(14-23(18)27(31)34)26(33)30-32-28(35)21-8-4-5-9-22(21)29(32)36/h4-5,8-15,20H,2-3,6-7,16H2,1H3,(H,30,33)
InChIKeySHQRZDZHDSYQSF-UHFFFAOYSA-N
XLogP4.12
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide?
The IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide (CID 142665259) is 2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide.
What is the SMILES notation for 2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide?
The canonical SMILES for 2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide is COc1ccc(N2Cc3ccc(C(=O)NN4C(=O)c5ccccc5C4=O)cc3C2=O)cc1OC1CCCC1.
What is the InChIKey of 2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide?
The InChIKey is SHQRZDZHDSYQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O6/c1-37-24-13-12-19(15-25(24)38-20-6-2-3-7-20)31-16-18-11-10-17(14-23(18)27(31)34)26(33)30-32-28(35)21-8-4-5-9-22(21)29(32)36/h4-5,8-15,20H,2-3,6-7,16H2,1H3,(H,30,33).
What are the key properties of 2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide?
2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide has a molecular weight of 511.53 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide is sourced from PubChem (CID 142665259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).