8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C19H24FN3O3 — CID 90884971

IUPAC8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCC(C)CNC(=O)C1=CC2(CCN(C(=O)c3ccc(F)cc3)CC2)ON1
InChIInChI=1S/C19H24FN3O3/c1-13(2)12-21-17(24)16-11-19(26-22-16)7-9-23(10-8-19)18(25)14-3-5-15(20)6-4-14/h3-6,11,13,22H,7-10,12H2,1-2H3,(H,21,24)
InChIKeyDMUANXWOAAPHDZ-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.99
Rot. Bonds4

About 8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 90884971) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound Name8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID90884971
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCC(C)CNC(=O)C1=CC2(CCN(C(=O)c3ccc(F)cc3)CC2)ON1
InChIInChI=1S/C19H24FN3O3/c1-13(2)12-21-17(24)16-11-19(26-22-16)7-9-23(10-8-19)18(25)14-3-5-15(20)6-4-14/h3-6,11,13,22H,7-10,12H2,1-2H3,(H,21,24)
InChIKeyDMUANXWOAAPHDZ-UHFFFAOYSA-N
XLogP1.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-Methyl-piperidine-1-carbonyl)-2-phenyl-vinyl]-benzamide
CID 5391769
1-[2-(Benzoylamino)-3-phenylacryloyl]-4-piperidinecarboxamide
CID 1041227
N-[(Z)-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1724396
N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 2097244
N-[2-(2-Fluoro-phenyl)-1-(4-methyl-piperazine-1-carbonyl)-vinyl]-benzamide
CID 2213200
tert-butyl 4-{[(2,4-difluorobenzoyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810467
N-[2-(4-Fluoro-phenyl)-1-(pyrrolidine-1-carbonyl)-vinyl]-benzamide
CID 5762396
tert-butyl 4-{[(4-fluorobenzoyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810466
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-3-fluorobenzamide
CID 1445047
N-Cyclohexyl-2-[4-(3-fluoro-benzoyl)-piperazin-1-yl]-acetamide
CID 6603126
N-butyl-1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxamide
CID 46943914
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzamide
CID 71583311

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of 8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 90884971) is 8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for 8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for 8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is CC(C)CNC(=O)C1=CC2(CCN(C(=O)c3ccc(F)cc3)CC2)ON1.
What is the InChIKey of 8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is DMUANXWOAAPHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-13(2)12-21-17(24)16-11-19(26-22-16)7-9-23(10-8-19)18(25)14-3-5-15(20)6-4-14/h3-6,11,13,22H,7-10,12H2,1-2H3,(H,21,24).
What are the key properties of 8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 90884971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).