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

C26H23NO4 — CID 29155280

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1
InChIInChI=1S/C26H23NO4/c1-16-9-17(2)11-21(10-16)26(30)27-14-25(29)31-15-24(28)20-8-7-19-12-18-5-3-4-6-22(18)23(19)13-20/h3-11,13H,12,14-15H2,1-2H3,(H,27,30)
InChIKeyKSZQABSMZHLHCA-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.03
Rot. Bonds6

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

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate (PubChem CID 29155280) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
PubChem CID29155280
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1
InChIInChI=1S/C26H23NO4/c1-16-9-17(2)11-21(10-16)26(30)27-14-25(29)31-15-24(28)20-8-7-19-12-18-5-3-4-6-22(18)23(19)13-20/h3-11,13H,12,14-15H2,1-2H3,(H,27,30)
InChIKeyKSZQABSMZHLHCA-UHFFFAOYSA-N
XLogP4.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489133
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2438123
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate
CID 2394479
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855454
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
[2-(9H-fluoren-3-yl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 7779040
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723570
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632864
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7632115

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate (CID 29155280) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate is Cc1cc(C)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-dimethylbenzoyl)amino]acetate?
The InChIKey is KSZQABSMZHLHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-16-9-17(2)11-21(10-16)26(30)27-14-25(29)31-15-24(28)20-8-7-19-12-18-5-3-4-6-22(18)23(19)13-20/h3-11,13H,12,14-15H2,1-2H3,(H,27,30).
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate has a molecular weight of 413.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate is sourced from PubChem (CID 29155280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).