9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate

C21H25NO2 — CID 118461263

IUPAC9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
SMILESCCCC(CC)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO2/c1-3-9-15(4-2)22-21(23)24-14-20-18-12-7-5-10-16(18)17-11-6-8-13-19(17)20/h5-8,10-13,15,20H,3-4,9,14H2,1-2H3,(H,22,23)
InChIKeyXDLGCGWHNQSJLY-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.10
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate

9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate (PubChem CID 118461263) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
PubChem CID118461263
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
SMILESCCCC(CC)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25NO2/c1-3-9-15(4-2)22-21(23)24-14-20-18-12-7-5-10-16(18)17-11-6-8-13-19(17)20/h5-8,10-13,15,20H,3-4,9,14H2,1-2H3,(H,22,23)
InChIKeyXDLGCGWHNQSJLY-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid
CID 165466286
9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate
CID 175503220
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
CID 95897978
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate
CID 66869994
3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid
CID 165461494
9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 59837877
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-4-methylsulfanylbutanoic acid
CID 165494687
9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate
CID 106182465

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate (CID 118461263) is 9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate is CCCC(CC)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate?
The InChIKey is XDLGCGWHNQSJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-9-15(4-2)22-21(23)24-14-20-18-12-7-5-10-16(18)17-11-6-8-13-19(17)20/h5-8,10-13,15,20H,3-4,9,14H2,1-2H3,(H,22,23).
What are the key properties of 9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate?
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate has a molecular weight of 323.44 g/mol, XLogP of 5.10, 6 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-hexan-3-ylcarbamate is sourced from PubChem (CID 118461263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).