9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate

C25H22N2O2 — CID 170460214

IUPAC9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate
SMILESNc1ccccc1C#CCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22N2O2/c26-24-15-6-1-9-18(24)10-7-8-16-27-25(28)29-17-23-21-13-4-2-11-19(21)20-12-3-5-14-22(20)23/h1-6,9,11-15,23H,8,16-17,26H2,(H,27,28)
InChIKeyYEULATAXAGIBNA-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.55
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate (PubChem CID 170460214) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate
PubChem CID170460214
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate
SMILESNc1ccccc1C#CCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22N2O2/c26-24-15-6-1-9-18(24)10-7-8-16-27-25(28)29-17-23-21-13-4-2-11-19(21)20-12-3-5-14-22(20)23/h1-6,9,11-15,23H,8,16-17,26H2,(H,27,28)
InChIKeyYEULATAXAGIBNA-UHFFFAOYSA-N
XLogP4.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(3-amino-2-hydroxyphenyl)but-3-ynyl]carbamate
CID 170460521
9H-fluoren-9-ylmethyl N-[4-[2-(aminomethyl)phenyl]but-3-ynyl]carbamate
CID 170460453
9H-fluoren-9-ylmethyl N-[4-(2-amino-5-cyanophenyl)but-3-ynyl]carbamate
CID 170460700
9H-fluoren-9-ylmethyl N-[4-(2-amino-4-nitrophenyl)but-3-ynyl]carbamate
CID 170461109
9H-fluoren-9-ylmethyl N-[4-(2-methylsulfonylphenyl)but-3-ynyl]carbamate
CID 170461003
9H-fluoren-9-ylmethyl N-[4-(5-amino-1H-pyrazol-4-yl)but-3-ynyl]carbamate
CID 170460139
(E)-3-[2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-ynyl]phenyl]prop-2-enoic acid
CID 170461292
9H-fluoren-9-ylmethyl N-[4-(2-amino-3-chloro-5-fluorophenyl)but-3-ynyl]carbamate
CID 170460796
5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-ynyl]naphthalene-1-carboxylic acid
CID 170461696
9H-fluoren-9-ylmethyl N-[4-(4-amino-3-hydroxyphenyl)but-3-ynyl]carbamate
CID 170460494
9H-fluoren-9-ylmethyl N-[4-(2,5-difluorophenyl)but-3-ynyl]carbamate
CID 170460297
9H-fluoren-9-ylmethyl N-(4-pyrimidin-2-ylbut-3-ynyl)carbamate
CID 170460133

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate (CID 170460214) is 9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate is Nc1ccccc1C#CCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate?
The InChIKey is YEULATAXAGIBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c26-24-15-6-1-9-18(24)10-7-8-16-27-25(28)29-17-23-21-13-4-2-11-19(21)20-12-3-5-14-22(20)23/h1-6,9,11-15,23H,8,16-17,26H2,(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate has a molecular weight of 382.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-(2-aminophenyl)but-3-ynyl]carbamate is sourced from PubChem (CID 170460214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).