[2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

C26H21NO4 — CID 7983552

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C26H21NO4/c1-17(28)27-24(13-18-7-3-2-4-8-18)26(30)31-16-25(29)21-12-11-20-14-19-9-5-6-10-22(19)23(20)15-21/h2-13,15H,14,16H2,1H3,(H,27,28)/b24-13-
InChIKeyDRMRXIYANMTWMA-CFRMEGHHSA-N
MW411.46 g/mol
LogP4.16
Rot. Bonds6

About [2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

[2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 7983552) has the molecular formula C26H21NO4 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID7983552
Molecular FormulaC26H21NO4
Molecular Weight411.46 g/mol
Exact Mass411.15
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C26H21NO4/c1-17(28)27-24(13-18-7-3-2-4-8-18)26(30)31-16-25(29)21-12-11-20-14-19-9-5-6-10-22(19)23(20)15-21/h2-13,15H,14,16H2,1H3,(H,27,28)/b24-13-
InChIKeyDRMRXIYANMTWMA-CFRMEGHHSA-N
XLogP4.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(4-propylphenyl)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7229310
(Z)-2-acetamido-N-(9H-fluoren-3-yl)-3-phenylprop-2-enamide
CID 9378259
[2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 18284156
[2-(9H-fluoren-3-yl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 7779040
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489133
[2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549928
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
[2-(benzylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284841
[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-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 6519946

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (CID 7983552) is [2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is DRMRXIYANMTWMA-CFRMEGHHSA-N. The full InChI is InChI=1S/C26H21NO4/c1-17(28)27-24(13-18-7-3-2-4-8-18)26(30)31-16-25(29)21-12-11-20-14-19-9-5-6-10-22(19)23(20)15-21/h2-13,15H,14,16H2,1H3,(H,27,28)/b24-13-.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 411.46 g/mol, XLogP of 4.16, 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] (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 7983552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).