N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide

C20H28FN3O3 — CID 91829765

IUPACN-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
SMILESCOCCN1CC2(CCCN(CC(=O)Nc3ccc(F)cc3)C2)CCC1=O
InChIInChI=1S/C20H28FN3O3/c1-27-12-11-24-15-20(9-7-19(24)26)8-2-10-23(14-20)13-18(25)22-17-5-3-16(21)4-6-17/h3-6H,2,7-15H2,1H3,(H,22,25)
InChIKeyRORWHEFAMZZMLD-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.12
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide

N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide (PubChem CID 91829765) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
PubChem CID91829765
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC NameN-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
SMILESCOCCN1CC2(CCCN(CC(=O)Nc3ccc(F)cc3)C2)CCC1=O
InChIInChI=1S/C20H28FN3O3/c1-27-12-11-24-15-20(9-7-19(24)26)8-2-10-23(14-20)13-18(25)22-17-5-3-16(21)4-6-17/h3-6H,2,7-15H2,1H3,(H,22,25)
InChIKeyRORWHEFAMZZMLD-UHFFFAOYSA-N
XLogP2.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-(4-fluorophenyl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70729809
N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 124752032
(6S)-2-(2-methoxyethyl)-8-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97150198
8-[2-(benzotriazol-2-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72863454
2-(2-methoxyethyl)-8-(2-methyl-1H-pyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70706736
8-(3-chloro-4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72913831
2-(2-methoxyethyl)-8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72855368
2-(2-methoxyethyl)-8-[(1-methylindol-6-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70727994
8-[(2-amino-3-pyridinyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70731550
2-(2-methoxyethyl)-8-[(1-methylindol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70768959
(6R)-2-(2-methoxyethyl)-8-[3-(4-methylpiperazin-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97130386
[2-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]urea
CID 97117307

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide (CID 91829765) is N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide is COCCN1CC2(CCCN(CC(=O)Nc3ccc(F)cc3)C2)CCC1=O.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide?
The InChIKey is RORWHEFAMZZMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-27-12-11-24-15-20(9-7-19(24)26)8-2-10-23(14-20)13-18(25)22-17-5-3-16(21)4-6-17/h3-6H,2,7-15H2,1H3,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide?
N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide has a molecular weight of 377.46 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide is sourced from PubChem (CID 91829765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).