8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione

C18H25FN4O2 — CID 131961894

IUPAC8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN(CCCNC1CCC2(CC1)NC(=O)NC2=O)c1ccccc1F
InChIInChI=1S/C18H25FN4O2/c1-23(15-6-3-2-5-14(15)19)12-4-11-20-13-7-9-18(10-8-13)16(24)21-17(25)22-18/h2-3,5-6,13,20H,4,7-12H2,1H3,(H2,21,22,24,25)
InChIKeyBBGDPRNOSRJREG-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.76
Rot. Bonds6

About 8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione

8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 131961894) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID131961894
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN(CCCNC1CCC2(CC1)NC(=O)NC2=O)c1ccccc1F
InChIInChI=1S/C18H25FN4O2/c1-23(15-6-3-2-5-14(15)19)12-4-11-20-13-7-9-18(10-8-13)16(24)21-17(25)22-18/h2-3,5-6,13,20H,4,7-12H2,1H3,(H2,21,22,24,25)
InChIKeyBBGDPRNOSRJREG-UHFFFAOYSA-N
XLogP1.76
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 55071126
1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
CID 60544274
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
CID 94866111
N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62562030
2-(2,3-difluorophenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)acetamide
CID 146087436
N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide
CID 60547395
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428035
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119861519
N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71939165
4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide
CID 55907767
N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine
CID 54903001

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 131961894) is 8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione is CN(CCCNC1CCC2(CC1)NC(=O)NC2=O)c1ccccc1F.
What is the InChIKey of 8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is BBGDPRNOSRJREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-23(15-6-3-2-5-14(15)19)12-4-11-20-13-7-9-18(10-8-13)16(24)21-17(25)22-18/h2-3,5-6,13,20H,4,7-12H2,1H3,(H2,21,22,24,25).
What are the key properties of 8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 348.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-fluoro-N-methylanilino)propylamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 131961894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).