3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C27H24N2O5 — CID 23030991

IUPAC3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCOc1ccc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C27H24N2O5/c1-33-23-11-10-18(14-24(23)34-19-12-16-6-2-3-7-17(16)13-19)22(15-25(28)30)29-26(31)20-8-4-5-9-21(20)27(29)32/h2-11,14,19,22H,12-13,15H2,1H3,(H2,28,30)
InChIKeyKCORKFZFMZLJDD-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.45
Rot. Bonds7

About 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 23030991) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID23030991
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Name3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCOc1ccc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C27H24N2O5/c1-33-23-11-10-18(14-24(23)34-19-12-16-6-2-3-7-17(16)13-19)22(15-25(28)30)29-26(31)20-8-4-5-9-21(20)27(29)32/h2-11,14,19,22H,12-13,15H2,1H3,(H2,28,30)
InChIKeyKCORKFZFMZLJDD-UHFFFAOYSA-N
XLogP3.45
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 23030991) is 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is COc1ccc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)cc1OC1Cc2ccccc2C1.
What is the InChIKey of 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is KCORKFZFMZLJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-33-23-11-10-18(14-24(23)34-19-12-16-6-2-3-7-17(16)13-19)22(15-25(28)30)29-26(31)20-8-4-5-9-21(20)27(29)32/h2-11,14,19,22H,12-13,15H2,1H3,(H2,28,30).
What are the key properties of 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 456.50 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 23030991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).