ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate

C26H23NO6 — CID 101132857

IUPACethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate
SMILESCCOC(=O)c1ccc(OC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H23NO6/c1-2-31-25(29)17-11-13-18(14-12-17)33-24(28)15-27-26(30)32-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,23H,2,15-16H2,1H3,(H,27,30)
InChIKeyJERQHAALVKSTOJ-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.31
Rot. Bonds7

About ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate

ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate (PubChem CID 101132857) has the molecular formula C26H23NO6 and a molecular weight of 445.47 g/mol. Its IUPAC name is ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate.

Molecular Properties

Compound Nameethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate
PubChem CID101132857
Molecular FormulaC26H23NO6
Molecular Weight445.47 g/mol
Exact Mass445.15
IUPAC Nameethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate
SMILESCCOC(=O)c1ccc(OC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H23NO6/c1-2-31-25(29)17-11-13-18(14-12-17)33-24(28)15-27-26(30)32-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,23H,2,15-16H2,1H3,(H,27,30)
InChIKeyJERQHAALVKSTOJ-UHFFFAOYSA-N
XLogP4.31
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate
CID 134309423
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
CID 24720878
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 157220460
ethyl 2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]acetate
CID 141178701
ethyl 4-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 170835564
2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 91976784
3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid
CID 174634562
methyl 4-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoyl]benzoate
CID 102121065
4-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopropyl]amino]benzoic acid
CID 66966516
methyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-3-(4-methoxyphenyl)-3-oxopropanoate
CID 140829695

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate?
The IUPAC name of ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate (CID 101132857) is ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate.
What is the SMILES notation for ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate?
The canonical SMILES for ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate is CCOC(=O)c1ccc(OC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate?
The InChIKey is JERQHAALVKSTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO6/c1-2-31-25(29)17-11-13-18(14-12-17)33-24(28)15-27-26(30)32-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,23H,2,15-16H2,1H3,(H,27,30).
What are the key properties of ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate?
ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate has a molecular weight of 445.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate is sourced from PubChem (CID 101132857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).