[9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate

C25H32N2O4 — CID 118272526

IUPAC[9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC1(COC(=O)N(CC)CC)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H32N2O4/c1-5-26(6-2)23(28)30-17-25(18-31-24(29)27(7-3)8-4)21-15-11-9-13-19(21)20-14-10-12-16-22(20)25/h9-16H,5-8,17-18H2,1-4H3
InChIKeyMXUWZBFPXQWQOC-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.91
Rot. Bonds8

About [9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate

[9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate (PubChem CID 118272526) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is [9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate.

Molecular Properties

Compound Name[9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate
PubChem CID118272526
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name[9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC1(COC(=O)N(CC)CC)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H32N2O4/c1-5-26(6-2)23(28)30-17-25(18-31-24(29)27(7-3)8-4)21-15-11-9-13-19(21)20-14-10-12-16-22(20)25/h9-16H,5-8,17-18H2,1-4H3
InChIKeyMXUWZBFPXQWQOC-UHFFFAOYSA-N
XLogP4.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate
CID 126613610
[9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate
CID 118345017
9,9-bis(2-methoxyethoxymethyl)fluorene
CID 22561477
[9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate
CID 66896982
(2-methylphenyl)methyl N,N-diethylcarbamate
CID 127519687
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 130159213
ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
1-(9,9-diethylfluoren-2-yl)propan-1-one
CID 122485363
methyl 3-[9-[2-[9-(3-methoxy-2-methyl-3-oxopropyl)fluoren-9-yl]ethyl]fluoren-9-yl]-2-methylpropanoate
CID 90136290
benzyl N-ethyl-N-propylcarbamate
CID 126656974

Frequently Asked Questions

What is the IUPAC name of [9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate?
The IUPAC name of [9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate (CID 118272526) is [9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate.
What is the SMILES notation for [9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate?
The canonical SMILES for [9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate is CCN(CC)C(=O)OCC1(COC(=O)N(CC)CC)c2ccccc2-c2ccccc21.
What is the InChIKey of [9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate?
The InChIKey is MXUWZBFPXQWQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-5-26(6-2)23(28)30-17-25(18-31-24(29)27(7-3)8-4)21-15-11-9-13-19(21)20-14-10-12-16-22(20)25/h9-16H,5-8,17-18H2,1-4H3.
What are the key properties of [9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate?
[9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate has a molecular weight of 424.54 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate is sourced from PubChem (CID 118272526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).