9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate

C28H28N2O3 — CID 169470801

IUPAC9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccccc1N1CCOCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H28N2O3/c31-28(29-15-7-9-21-8-1-6-14-27(21)30-16-18-32-19-17-30)33-20-26-24-12-4-2-10-22(24)23-11-3-5-13-25(23)26/h1-14,26H,15-20H2,(H,29,31)
InChIKeyIQGZPGHBNFDOKY-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.08
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate (PubChem CID 169470801) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate
PubChem CID169470801
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccccc1N1CCOCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H28N2O3/c31-28(29-15-7-9-21-8-1-6-14-27(21)30-16-18-32-19-17-30)33-20-26-24-12-4-2-10-22(24)23-11-3-5-13-25(23)26/h1-14,26H,15-20H2,(H,29,31)
InChIKeyIQGZPGHBNFDOKY-UHFFFAOYSA-N
XLogP5.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469141
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2,4-dihydroxybenzoic acid
CID 169470064
9H-fluoren-9-ylmethyl N-[3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enyl]carbamate
CID 169470836
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169469103
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469006
9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate (CID 169470801) is 9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccccc1N1CCOCC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate?
The InChIKey is IQGZPGHBNFDOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c31-28(29-15-7-9-21-8-1-6-14-27(21)30-16-18-32-19-17-30)33-20-26-24-12-4-2-10-22(24)23-11-3-5-13-25(23)26/h1-14,26H,15-20H2,(H,29,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate has a molecular weight of 440.54 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).