9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate

C22H25NO4 — CID 159000413

IUPAC9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate
SMILESCCC(=O)CCC(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO4/c1-2-15(24)11-12-16(25)13-23-22(26)27-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,16,21,25H,2,11-14H2,1H3,(H,23,26)
InChIKeyGFBKAAKNEQWDOZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.65
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate

9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate (PubChem CID 159000413) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate
PubChem CID159000413
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate
SMILESCCC(=O)CCC(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO4/c1-2-15(24)11-12-16(25)13-23-22(26)27-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,16,21,25H,2,11-14H2,1H3,(H,23,26)
InChIKeyGFBKAAKNEQWDOZ-UHFFFAOYSA-N
XLogP3.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid;4-oxohexanoic acid
CID 158307652
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid
CID 81064501
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate
CID 22492775
9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834099
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate
CID 161493438
methyl (3S)-3-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 11784622
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833730
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate (CID 159000413) is 9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate is CCC(=O)CCC(O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate?
The InChIKey is GFBKAAKNEQWDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-2-15(24)11-12-16(25)13-23-22(26)27-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,16,21,25H,2,11-14H2,1H3,(H,23,26).
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate?
9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate has a molecular weight of 367.45 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(2-hydroxy-5-oxoheptyl)carbamate is sourced from PubChem (CID 159000413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).