9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate

C26H25NO2 — CID 169469085

IUPAC9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
SMILESCc1ccc(C)c(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C26H25NO2/c1-18-13-14-19(2)20(16-18)8-7-15-27-26(28)29-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h3-14,16,25H,15,17H2,1-2H3,(H,27,28)
InChIKeyHGXAMUUHTQBWBA-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.86
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate (PubChem CID 169469085) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
PubChem CID169469085
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
SMILESCc1ccc(C)c(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C26H25NO2/c1-18-13-14-19(2)20(16-18)8-7-15-27-26(28)29-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h3-14,16,25H,15,17H2,1-2H3,(H,27,28)
InChIKeyHGXAMUUHTQBWBA-UHFFFAOYSA-N
XLogP5.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
CID 169469501
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]carbamate
CID 169469374
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(3-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469026
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-fluoro-2-methylphenyl)prop-2-enyl]carbamate
CID 169469567
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate
CID 169469467
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469871
9H-fluoren-9-ylmethyl N-[4-(2-bromo-4-methylphenyl)but-3-enyl]carbamate
CID 170493296

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate (CID 169469085) is 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate is Cc1ccc(C)c(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate?
The InChIKey is HGXAMUUHTQBWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-18-13-14-19(2)20(16-18)8-7-15-27-26(28)29-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h3-14,16,25H,15,17H2,1-2H3,(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate has a molecular weight of 383.49 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).