9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate

C22H24N2O2 — CID 157184389

IUPAC9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N(CC1CNC1)C1CC1
InChIInChI=1S/C22H24N2O2/c25-22(24(16-9-10-16)13-15-11-23-12-15)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21,23H,9-14H2
InChIKeyWGJUZIPGJVVXDH-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.62
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate

9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate (PubChem CID 157184389) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate
PubChem CID157184389
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N(CC1CNC1)C1CC1
InChIInChI=1S/C22H24N2O2/c25-22(24(16-9-10-16)13-15-11-23-12-15)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21,23H,9-14H2
InChIKeyWGJUZIPGJVVXDH-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate
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9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
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CID 86810454
2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 173067102
2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-(2,6-dimethylphenyl)acetic acid
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(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 69233050
9H-fluoren-9-ylmethyl carbonofluoridate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate (CID 157184389) is 9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate is O=C(OCC1c2ccccc2-c2ccccc21)N(CC1CNC1)C1CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate?
The InChIKey is WGJUZIPGJVVXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-22(24(16-9-10-16)13-15-11-23-12-15)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21,23H,9-14H2.
What are the key properties of 9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate?
9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate has a molecular weight of 348.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate is sourced from PubChem (CID 157184389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).