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

C20H24N4O5 — CID 25484865

IUPAC(3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O
InChIInChI=1S/C20H24N4O5/c1-29-15-8-4-3-7-14(15)23-12-13(11-16(23)25)17(26)22-24-18(27)20(21-19(24)28)9-5-2-6-10-20/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,21,28)(H,22,26)/t13-/m0/s1
InChIKeyDBRHORDGTHDURC-ZDUSSCGKSA-N
MW400.44 g/mol
LogP1.33
Rot. Bonds4

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

(3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 25484865) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is (3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID25484865
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name(3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O
InChIInChI=1S/C20H24N4O5/c1-29-15-8-4-3-7-14(15)23-12-13(11-16(23)25)17(26)22-24-18(27)20(21-19(24)28)9-5-2-6-10-20/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,21,28)(H,22,26)/t13-/m0/s1
InChIKeyDBRHORDGTHDURC-ZDUSSCGKSA-N
XLogP1.33
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904637
ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 55969086
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 35798356
(3S)-1-(2-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 2118403
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17308597
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
(3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 125135627
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 25484865) is (3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1C[C@@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O.
What is the InChIKey of (3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DBRHORDGTHDURC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-29-15-8-4-3-7-14(15)23-12-13(11-16(23)25)17(26)22-24-18(27)20(21-19(24)28)9-5-2-6-10-20/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,21,28)(H,22,26)/t13-/m0/s1.
What are the key properties of (3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 25484865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).