2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide

C23H22NO2- — CID 138978999

IUPAC2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1c(-c2ccccc2)c2c([c-]1-c1ccccc1)COC2
InChIInChI=1S/C23H22NO2/c1-24(2)21(25)13-18-22(16-9-5-3-6-10-16)19-14-26-15-20(19)23(18)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q-1
InChIKeyFWKASDSJIJUALN-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.40
Rot. Bonds4

About 2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide

2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide (PubChem CID 138978999) has the molecular formula C23H22NO2- and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide
PubChem CID138978999
Molecular FormulaC23H22NO2-
Molecular Weight344.43 g/mol
Exact Mass344.17
IUPAC Name2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1c(-c2ccccc2)c2c([c-]1-c1ccccc1)COC2
InChIInChI=1S/C23H22NO2/c1-24(2)21(25)13-18-22(16-9-5-3-6-10-16)19-14-26-15-20(19)23(18)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q-1
InChIKeyFWKASDSJIJUALN-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide (CID 138978999) is 2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1c(-c2ccccc2)c2c([c-]1-c1ccccc1)COC2.
What is the InChIKey of 2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide?
The InChIKey is FWKASDSJIJUALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22NO2/c1-24(2)21(25)13-18-22(16-9-5-3-6-10-16)19-14-26-15-20(19)23(18)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q-1.
What are the key properties of 2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide?
2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide has a molecular weight of 344.43 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3-dihydrocyclopenta[c]furan-6-id-5-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 138978999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).