ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate

C24H27ClN2O6 — CID 55878078

IUPACethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)C1CC(=O)N(c2cc(Cl)ccc2OC)C1)c1cccc(OC)c1
InChIInChI=1S/C24H27ClN2O6/c1-4-33-23(29)13-19(15-6-5-7-18(10-15)31-2)26-24(30)16-11-22(28)27(14-16)20-12-17(25)8-9-21(20)32-3/h5-10,12,16,19H,4,11,13-14H2,1-3H3,(H,26,30)
InChIKeyUIULOAAJOZJCJH-UHFFFAOYSA-N
MW474.94 g/mol
LogP3.52
Rot. Bonds9

About ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate

ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate (PubChem CID 55878078) has the molecular formula C24H27ClN2O6 and a molecular weight of 474.94 g/mol. Its IUPAC name is ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate
PubChem CID55878078
Molecular FormulaC24H27ClN2O6
Molecular Weight474.94 g/mol
Exact Mass474.16
IUPAC Nameethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)C1CC(=O)N(c2cc(Cl)ccc2OC)C1)c1cccc(OC)c1
InChIInChI=1S/C24H27ClN2O6/c1-4-33-23(29)13-19(15-6-5-7-18(10-15)31-2)26-24(30)16-11-22(28)27(14-16)20-12-17(25)8-9-21(20)32-3/h5-10,12,16,19H,4,11,13-14H2,1-3H3,(H,26,30)
InChIKeyUIULOAAJOZJCJH-UHFFFAOYSA-N
XLogP3.52
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.94
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004503
ethyl 3-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55879999
2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120702014
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8714268
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 9489350
3-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid
CID 108788313
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
1-(5-chloro-2-methoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55589291
(3S)-1-(2,5-dimethoxyphenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51935329
(3S)-N-benzhydryl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965651
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate (CID 55878078) is ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate is CCOC(=O)CC(NC(=O)C1CC(=O)N(c2cc(Cl)ccc2OC)C1)c1cccc(OC)c1.
What is the InChIKey of ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate?
The InChIKey is UIULOAAJOZJCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O6/c1-4-33-23(29)13-19(15-6-5-7-18(10-15)31-2)26-24(30)16-11-22(28)27(14-16)20-12-17(25)8-9-21(20)32-3/h5-10,12,16,19H,4,11,13-14H2,1-3H3,(H,26,30).
What are the key properties of ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate?
ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate has a molecular weight of 474.94 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 55878078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).