9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate

C35H52N2O3 — CID 102308355

IUPAC9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C35H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-36-34(38)27-37-35(39)40-28-33-31-24-19-17-22-29(31)30-23-18-20-25-32(30)33/h17-20,22-25,33H,2-16,21,26-28H2,1H3,(H,36,38)(H,37,39)
InChIKeyKNGHBOPZTIVFSA-UHFFFAOYSA-N
MW548.81 g/mol
LogP8.90
Rot. Bonds21

About 9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate (PubChem CID 102308355) has the molecular formula C35H52N2O3 and a molecular weight of 548.81 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
PubChem CID102308355
Molecular FormulaC35H52N2O3
Molecular Weight548.81 g/mol
Exact Mass548.40
IUPAC Name9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C35H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-36-34(38)27-37-35(39)40-28-33-31-24-19-17-22-29(31)30-23-18-20-25-32(30)33/h17-20,22-25,33H,2-16,21,26-28H2,1H3,(H,36,38)(H,37,39)
InChIKeyKNGHBOPZTIVFSA-UHFFFAOYSA-N
XLogP8.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.81
LogP ≤ 58.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
9H-fluoren-9-ylmethyl N-[2-(4,4-dihydroxybutylamino)-2-oxoethyl]carbamate
CID 139455954
9H-fluoren-9-ylmethyl N-[1-(octadecylamino)-1-oxopropan-2-yl]carbamate
CID 102097431
9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate
CID 118407693
3-(butanoylamino)propanoic acid;2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 161068795
tert-butyl N-[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 170946250
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid
CID 155427273
ethyl 2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]acetate
CID 141178701
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate
CID 176639180

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate (CID 102308355) is 9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate is CCCCCCCCCCCCCCCCCCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate?
The InChIKey is KNGHBOPZTIVFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-36-34(38)27-37-35(39)40-28-33-31-24-19-17-22-29(31)30-23-18-20-25-32(30)33/h17-20,22-25,33H,2-16,21,26-28H2,1H3,(H,36,38)(H,37,39).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate has a molecular weight of 548.81 g/mol, XLogP of 8.90, 21 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-[2-(octadecylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 102308355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).