(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide

C23H30N4O4 — CID 25484893

IUPAC(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O
InChIInChI=1S/C23H30N4O4/c1-3-15(2)17-9-5-6-10-18(17)26-14-16(13-19(26)28)20(29)25-27-21(30)23(24-22(27)31)11-7-4-8-12-23/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3,(H,24,31)(H,25,29)/t15-,16-/m0/s1
InChIKeyDLGOVOFIWNHVBZ-HOTGVXAUSA-N
MW426.52 g/mol
LogP2.84
Rot. Bonds5

About (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 25484893) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID25484893
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O
InChIInChI=1S/C23H30N4O4/c1-3-15(2)17-9-5-6-10-18(17)26-14-16(13-19(26)28)20(29)25-27-21(30)23(24-22(27)31)11-7-4-8-12-23/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3,(H,24,31)(H,25,29)/t15-,16-/m0/s1
InChIKeyDLGOVOFIWNHVBZ-HOTGVXAUSA-N
XLogP2.84
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25484865
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 27536786
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922406
1-(2-butan-2-ylphenyl)-N-(1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78856916
1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51181758
1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55333082
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42989600
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 2442336
N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78814263
1-(2-butan-2-ylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 86908073

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 25484893) is (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide is CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O.
What is the InChIKey of (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DLGOVOFIWNHVBZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-3-15(2)17-9-5-6-10-18(17)26-14-16(13-19(26)28)20(29)25-27-21(30)23(24-22(27)31)11-7-4-8-12-23/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3,(H,24,31)(H,25,29)/t15-,16-/m0/s1.
What are the key properties of (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 25484893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).