N-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide

C21H29FN2O3 — CID 110154675

IUPACN-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@]12CO[C@@H](c1ccc(F)cc1)C(C(C)C)C2
InChIInChI=1S/C21H29FN2O3/c1-14(2)18-11-21(9-4-10-24(21)19(26)12-23-15(3)25)13-27-20(18)16-5-7-17(22)8-6-16/h5-8,14,18,20H,4,9-13H2,1-3H3,(H,23,25)/t18?,20-,21-/m0/s1
InChIKeyNFJQABVFHPSAQL-LLQWEQGGSA-N
MW376.47 g/mol
LogP3.06
Rot. Bonds4

About N-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide

N-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide (PubChem CID 110154675) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide
PubChem CID110154675
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC NameN-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@]12CO[C@@H](c1ccc(F)cc1)C(C(C)C)C2
InChIInChI=1S/C21H29FN2O3/c1-14(2)18-11-21(9-4-10-24(21)19(26)12-23-15(3)25)13-27-20(18)16-5-7-17(22)8-6-16/h5-8,14,18,20H,4,9-13H2,1-3H3,(H,23,25)/t18?,20-,21-/m0/s1
InChIKeyNFJQABVFHPSAQL-LLQWEQGGSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5S,7S,8R)-8-(3-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 110154758
[(6S,9R,10S)-9-(4-fluorophenyl)-10-propan-2-yl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]-(4-hydroxyphenyl)methanone
CID 110154731
1-[(6S,9R,10S)-9-(4-fluorophenyl)-10-propan-2-yl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 110154911
(2-chlorophenyl)-[(6S,9R,10S)-9-(4-fluorophenyl)-10-propan-2-yl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]methanone
CID 110154827
1-[(6S,9R,10S)-9-(4-fluorophenyl)-10-propan-2-yl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 110154792
(6S,9R,10S)-9-(4-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-10-propan-2-yl-1,8-dioxa-4-azaspiro[5.5]undecane
CID 110154668
N-[2-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 60712509
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one
CID 110327504
N-[2-[(3R)-4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]acetamide
CID 95555186
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide
CID 134787720
2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 172892735

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide (CID 110154675) is N-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC[C@]12CO[C@@H](c1ccc(F)cc1)C(C(C)C)C2.
What is the InChIKey of N-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide?
The InChIKey is NFJQABVFHPSAQL-LLQWEQGGSA-N. The full InChI is InChI=1S/C21H29FN2O3/c1-14(2)18-11-21(9-4-10-24(21)19(26)12-23-15(3)25)13-27-20(18)16-5-7-17(22)8-6-16/h5-8,14,18,20H,4,9-13H2,1-3H3,(H,23,25)/t18?,20-,21-/m0/s1.
What are the key properties of N-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide?
N-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide has a molecular weight of 376.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 110154675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).