[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate

C19H26FNO2 — CID 156602625

IUPAC[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate
SMILESCCCC1CCC2(CC1)CC[C@H]2OC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H26FNO2/c1-2-3-14-8-11-19(12-9-14)13-10-17(19)23-18(22)21-16-6-4-15(20)5-7-16/h4-7,14,17H,2-3,8-13H2,1H3,(H,21,22)/t14?,17-,19?/m1/s1
InChIKeyYCDFDHVWQIAYOT-LTCLLZNKSA-N
MW319.42 g/mol
LogP5.51
Rot. Bonds4

About [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate

[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate (PubChem CID 156602625) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate
PubChem CID156602625
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate
SMILESCCCC1CCC2(CC1)CC[C@H]2OC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H26FNO2/c1-2-3-14-8-11-19(12-9-14)13-10-17(19)23-18(22)21-16-6-4-15(20)5-7-16/h4-7,14,17H,2-3,8-13H2,1H3,(H,21,22)/t14?,17-,19?/m1/s1
InChIKeyYCDFDHVWQIAYOT-LTCLLZNKSA-N
XLogP5.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.42
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenylpropyl phenylcarbamate
CID 2254838
4-Tert-butylbenzyl 4-fluorophenylcarbamate
CID 823436
2-adamantyl N-(2,3,4-trifluorophenyl)carbamate
CID 56673017
Cyclohexyl carbamate derivative 3
CID 54670072
Spiro(2.4)heptan-4-ol, carbanilate
CID 98190
(4-Methylcyclohex-3-en-1-yl)methyl phenylcarbamate
CID 652223
Cyclohexyl 3-methylphenylcarbamate
CID 853669
Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester
CID 58083
2-Methylcyclohexyl N-(M-tolyl)carbamate
CID 4431607
(1,1,1-trifluoro-3-phenylpropan-2-yl) N-phenylcarbamate
CID 2740462
cyclobutyl N-(3-phenylphenyl)carbamate
CID 57392118
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate
CID 57402605

Frequently Asked Questions

What is the IUPAC name of [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate?
The IUPAC name of [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate (CID 156602625) is [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate is CCCC1CCC2(CC1)CC[C@H]2OC(=O)Nc1ccc(F)cc1.
What is the InChIKey of [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate?
The InChIKey is YCDFDHVWQIAYOT-LTCLLZNKSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-2-3-14-8-11-19(12-9-14)13-10-17(19)23-18(22)21-16-6-4-15(20)5-7-16/h4-7,14,17H,2-3,8-13H2,1H3,(H,21,22)/t14?,17-,19?/m1/s1.
What are the key properties of [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate?
[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate has a molecular weight of 319.42 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-7-propylspiro[3.5]nonan-3-yl] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 156602625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).