(3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C23H32N2O6 — CID 124872834

IUPAC(3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2C[C@H](C(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)CC2=O)c1
InChIInChI=1S/C23H32N2O6/c1-29-17-3-4-19(30-2)18(12-17)25-14-16(11-20(25)26)22(28)24-13-15-5-6-23(21(15)27)7-9-31-10-8-23/h3-4,12,15-16,21,27H,5-11,13-14H2,1-2H3,(H,24,28)/t15-,16-,21+/m1/s1
InChIKeyYOSGCFUUMCMLGT-ZOCZFRKYSA-N
MW432.52 g/mol
LogP1.74
Rot. Bonds6

About (3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 124872834) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is (3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID124872834
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Name(3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2C[C@H](C(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)CC2=O)c1
InChIInChI=1S/C23H32N2O6/c1-29-17-3-4-19(30-2)18(12-17)25-14-16(11-20(25)26)22(28)24-13-15-5-6-23(21(15)27)7-9-31-10-8-23/h3-4,12,15-16,21,27H,5-11,13-14H2,1-2H3,(H,24,28)/t15-,16-,21+/m1/s1
InChIKeyYOSGCFUUMCMLGT-ZOCZFRKYSA-N
XLogP1.74
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 84504606
methyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9395060
4-[[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541802
(3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 125135627
(3R)-1-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94039761
1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55642286
4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542267
(3R)-1-(2,5-dimethoxyphenyl)-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 9394742
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55576308
(3R)-N-tert-butyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394386
(3R)-N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100906200
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110876784

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 124872834) is (3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)CC2=O)c1.
What is the InChIKey of (3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YOSGCFUUMCMLGT-ZOCZFRKYSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-29-17-3-4-19(30-2)18(12-17)25-14-16(11-20(25)26)22(28)24-13-15-5-6-23(21(15)27)7-9-31-10-8-23/h3-4,12,15-16,21,27H,5-11,13-14H2,1-2H3,(H,24,28)/t15-,16-,21+/m1/s1.
What are the key properties of (3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,5-dimethoxyphenyl)-N-[[(3R,4S)-4-hydroxy-8-oxaspiro[4.5]decan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124872834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).