9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate

C20H23NO3 — CID 102476302

IUPAC9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
SMILESCC(C)(CO)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO3/c1-20(2,13-22)12-21-19(23)24-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18,22H,11-13H2,1-2H3,(H,21,23)
InChIKeyBCWNOHGWBGCWHY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.54
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate

9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate (PubChem CID 102476302) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
PubChem CID102476302
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
SMILESCC(C)(CO)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO3/c1-20(2,13-22)12-21-19(23)24-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18,22H,11-13H2,1-2H3,(H,21,23)
InChIKeyBCWNOHGWBGCWHY-UHFFFAOYSA-N
XLogP3.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 178199085
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]methyl]pentanoic acid
CID 165496711
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate
CID 57368211
(2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid
CID 178193969
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 6950285
9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate
CID 15339929
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate (CID 102476302) is 9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate is CC(C)(CO)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
The InChIKey is BCWNOHGWBGCWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,13-22)12-21-19(23)24-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18,22H,11-13H2,1-2H3,(H,21,23).
What are the key properties of 9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate has a molecular weight of 325.41 g/mol, XLogP of 3.54, 5 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-(3-hydroxy-2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 102476302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).