9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate

C22H27NO2 — CID 118461270

IUPAC9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
SMILESCCCCCC(C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H27NO2/c1-3-4-5-10-16(2)23-22(24)25-15-21-19-13-8-6-11-17(19)18-12-7-9-14-20(18)21/h6-9,11-14,16,21H,3-5,10,15H2,1-2H3,(H,23,24)
InChIKeyBPMCAYCEZARCAT-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.49
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate

9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate (PubChem CID 118461270) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
PubChem CID118461270
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
SMILESCCCCCC(C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H27NO2/c1-3-4-5-10-16(2)23-22(24)25-15-21-19-13-8-6-11-17(19)18-12-7-9-14-20(18)21/h6-9,11-14,16,21H,3-5,10,15H2,1-2H3,(H,23,24)
InChIKeyBPMCAYCEZARCAT-UHFFFAOYSA-N
XLogP5.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate
CID 66869994
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
CID 95897978
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179
9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
CID 20732098
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid;formamide
CID 131676586
tert-butyl N-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)hexyl]carbamate
CID 129024055
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
9H-fluoren-9-ylmethyl N-[1-(octadecylamino)-1-oxopropan-2-yl]carbamate
CID 102097431

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate (CID 118461270) is 9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate is CCCCCC(C)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate?
The InChIKey is BPMCAYCEZARCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-4-5-10-16(2)23-22(24)25-15-21-19-13-8-6-11-17(19)18-12-7-9-14-20(18)21/h6-9,11-14,16,21H,3-5,10,15H2,1-2H3,(H,23,24).
What are the key properties of 9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate?
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate has a molecular weight of 337.46 g/mol, XLogP of 5.49, 7 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-heptan-2-ylcarbamate is sourced from PubChem (CID 118461270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).