ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate

C21H28N2O5 — CID 55969086

IUPACethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C2CC(=O)N(c3ccccc3OC)C2)CCCCC1
InChIInChI=1S/C21H28N2O5/c1-3-28-20(26)21(11-7-4-8-12-21)22-19(25)15-13-18(24)23(14-15)16-9-5-6-10-17(16)27-2/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,22,25)
InChIKeyGJEWPIRHBTZQDO-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.43
Rot. Bonds6

About ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate

ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 55969086) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID55969086
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Nameethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C2CC(=O)N(c3ccccc3OC)C2)CCCCC1
InChIInChI=1S/C21H28N2O5/c1-3-28-20(26)21(11-7-4-8-12-21)22-19(25)15-13-18(24)23(14-15)16-9-5-6-10-17(16)27-2/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,22,25)
InChIKeyGJEWPIRHBTZQDO-UHFFFAOYSA-N
XLogP2.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904637
1-[[(3R)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 97185380
(3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25484865
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide
CID 55672653
(3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 125135627
N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119566446
N-[2-(4-aminophenyl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119549566
2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid
CID 119192397
methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate
CID 42569429
ethyl 2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4876582

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate (CID 55969086) is ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1(NC(=O)C2CC(=O)N(c3ccccc3OC)C2)CCCCC1.
What is the InChIKey of ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is GJEWPIRHBTZQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-3-28-20(26)21(11-7-4-8-12-21)22-19(25)15-13-18(24)23(14-15)16-9-5-6-10-17(16)27-2/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,22,25).
What are the key properties of ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate?
ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 388.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 55969086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).