2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate

C24H21NO3 — CID 23170808

IUPAC2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate
SMILESO=C(CC1c2ccccc2-c2ccccc21)NCCOC(=O)c1ccccc1
InChIInChI=1S/C24H21NO3/c26-23(25-14-15-28-24(27)17-8-2-1-3-9-17)16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22H,14-16H2,(H,25,26)
InChIKeyIKFVZIDIROBQSK-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.16
Rot. Bonds6

About 2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate

2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate (PubChem CID 23170808) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate.

Molecular Properties

Compound Name2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate
PubChem CID23170808
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate
SMILESO=C(CC1c2ccccc2-c2ccccc21)NCCOC(=O)c1ccccc1
InChIInChI=1S/C24H21NO3/c26-23(25-14-15-28-24(27)17-8-2-1-3-9-17)16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22H,14-16H2,(H,25,26)
InChIKeyIKFVZIDIROBQSK-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid
CID 10022111
2-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoate;hydrochloride
CID 119026107
2-(methylamino)ethyl benzoate
CID 158644589
2-(2-phenylethylamino)ethyl benzoate
CID 82532113
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate
CID 67590944
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536
2-(butoxycarbonylamino)ethyl benzoate
CID 570837
2-benzoyloxyethyl benzoate;ethene
CID 67969171
[(2-benzoyloxyethylamino)azaniumyl]azanide
CID 176837320
2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate
CID 23621651
[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate
CID 8534586
3-(benzylamino)propyl benzoate
CID 67562495

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate?
The IUPAC name of 2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate (CID 23170808) is 2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate.
What is the SMILES notation for 2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate?
The canonical SMILES for 2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate is O=C(CC1c2ccccc2-c2ccccc21)NCCOC(=O)c1ccccc1.
What is the InChIKey of 2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate?
The InChIKey is IKFVZIDIROBQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c26-23(25-14-15-28-24(27)17-8-2-1-3-9-17)16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22H,14-16H2,(H,25,26).
What are the key properties of 2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate?
2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate has a molecular weight of 371.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate is sourced from PubChem (CID 23170808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).