N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide

C18H25FN2O2 — CID 128853625

IUPACN-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide
SMILESCc1cc(F)ccc1CCNC(=O)N1CCC(O)CC12CCC2
InChIInChI=1S/C18H25FN2O2/c1-13-11-15(19)4-3-14(13)5-9-20-17(23)21-10-6-16(22)12-18(21)7-2-8-18/h3-4,11,16,22H,2,5-10,12H2,1H3,(H,20,23)
InChIKeyTUVJHDVSRVOILG-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.77
Rot. Bonds3

About N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide

N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide (PubChem CID 128853625) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide
PubChem CID128853625
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide
SMILESCc1cc(F)ccc1CCNC(=O)N1CCC(O)CC12CCC2
InChIInChI=1S/C18H25FN2O2/c1-13-11-15(19)4-3-14(13)5-9-20-17(23)21-10-6-16(22)12-18(21)7-2-8-18/h3-4,11,16,22H,2,5-10,12H2,1H3,(H,20,23)
InChIKeyTUVJHDVSRVOILG-UHFFFAOYSA-N
XLogP2.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-Fluorophenyl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 45875839
N-[2-(2,4-difluorophenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 56788233
N-[2-(3,4-difluorophenyl)propyl]-4-methoxypiperidine-1-carboxamide
CID 72116234
(1R*,3S*)-N-(4-fluorobenzyl)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 72872231
N-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 91649471
4-(4-fluorobenzyl)-N-(trans-4-hydroxycyclohexyl)piperidine-1-carboxamide
CID 119069495
N-[2-(3,4-difluorophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 121516894
N-[4-(3,4-difluorophenyl)butyl]-4-methoxy-2-methylpiperidine-1-carboxamide
CID 121581166
4-[(1S)-1-hydroxy-3-phenylpropyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-1-carboxamide
CID 125522857
3-(3,4-difluorophenyl)-N-(2-ethyloxan-4-yl)piperidine-1-carboxamide
CID 132319932
4-[2-(2,4-difluorophenyl)ethyl]-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide
CID 132972230
(3S,4S)-4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 164640315

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide?
The IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide (CID 128853625) is N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide?
The canonical SMILES for N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide is Cc1cc(F)ccc1CCNC(=O)N1CCC(O)CC12CCC2.
What is the InChIKey of N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide?
The InChIKey is TUVJHDVSRVOILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13-11-15(19)4-3-14(13)5-9-20-17(23)21-10-6-16(22)12-18(21)7-2-8-18/h3-4,11,16,22H,2,5-10,12H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide?
N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methylphenyl)ethyl]-8-hydroxy-5-azaspiro[3.5]nonane-5-carboxamide is sourced from PubChem (CID 128853625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).