N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

C23H30FN3O3 — CID 51951531

IUPACN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)N[C@H](c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C23H30FN3O3/c24-18-10-8-17(9-11-18)20(16-6-2-3-7-16)25-19(28)12-15-27-21(29)23(26-22(27)30)13-4-1-5-14-23/h8-11,16,20H,1-7,12-15H2,(H,25,28)(H,26,30)/t20-/m0/s1
InChIKeyYQJUDQMSDRBGCJ-FQEVSTJZSA-N
MW415.51 g/mol
LogP3.82
Rot. Bonds6

About N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (PubChem CID 51951531) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.

Molecular Properties

Compound NameN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
PubChem CID51951531
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC NameN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)N[C@H](c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C23H30FN3O3/c24-18-10-8-17(9-11-18)20(16-6-2-3-7-16)25-19(28)12-15-27-21(29)23(26-22(27)30)13-4-1-5-14-23/h8-11,16,20H,1-7,12-15H2,(H,25,28)(H,26,30)/t20-/m0/s1
InChIKeyYQJUDQMSDRBGCJ-FQEVSTJZSA-N
XLogP3.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethotoin
CID 3292
Phenylhydantoin
CID 1002
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CID 2107999
2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(1-piperidinyl)propyl)-
CID 3041343
2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(4-phenyl-1-piperidinyl)propyl)-
CID 3043720
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
3-Methyl-5,5-diphenylimidazolidine-2,4-dione
CID 77899
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
D-phenylalanyl-N-benzyl-L-prolinamide
CID 25113125
(2S)-N-(benzylcarbamoyl)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carboxamide
CID 57878102
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
CID 4264496
5-(4-Fluorophenyl)imidazolidine-2,4-dione
CID 265439

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The IUPAC name of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (CID 51951531) is N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.
What is the SMILES notation for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The canonical SMILES for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is O=C(CCN1C(=O)NC2(CCCCC2)C1=O)N[C@H](c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The InChIKey is YQJUDQMSDRBGCJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30FN3O3/c24-18-10-8-17(9-11-18)20(16-6-2-3-7-16)25-19(28)12-15-27-21(29)23(26-22(27)30)13-4-1-5-14-23/h8-11,16,20H,1-7,12-15H2,(H,25,28)(H,26,30)/t20-/m0/s1.
What are the key properties of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide has a molecular weight of 415.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is sourced from PubChem (CID 51951531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).