[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

C26H23NO6 — CID 2083826

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1
InChIInChI=1S/C26H23NO6/c1-31-20-10-19(11-21(13-20)32-2)26(30)27-14-25(29)33-15-24(28)18-8-7-17-9-16-5-3-4-6-22(16)23(17)12-18/h3-8,10-13H,9,14-15H2,1-2H3,(H,27,30)
InChIKeyPVDVRNZUKDSEFX-UHFFFAOYSA-N
MW445.47 g/mol
LogP3.43
Rot. Bonds8

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 2083826) has the molecular formula C26H23NO6 and a molecular weight of 445.47 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID2083826
Molecular FormulaC26H23NO6
Molecular Weight445.47 g/mol
Exact Mass445.15
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1
InChIInChI=1S/C26H23NO6/c1-31-20-10-19(11-21(13-20)32-2)26(30)27-14-25(29)33-15-24(28)18-8-7-17-9-16-5-3-4-6-22(16)23(17)12-18/h3-8,10-13H,9,14-15H2,1-2H3,(H,27,30)
InChIKeyPVDVRNZUKDSEFX-UHFFFAOYSA-N
XLogP3.43
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 2083826) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is PVDVRNZUKDSEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO6/c1-31-20-10-19(11-21(13-20)32-2)26(30)27-14-25(29)33-15-24(28)18-8-7-17-9-16-5-3-4-6-22(16)23(17)12-18/h3-8,10-13H,9,14-15H2,1-2H3,(H,27,30).
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 445.47 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2083826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).