N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C24H30N2O8 — CID 55624339

IUPACN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOCCOc1cc(NC(=O)C2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)ccc1OC
InChIInChI=1S/C24H30N2O8/c1-29-8-9-34-19-11-16(6-7-18(19)30-2)25-24(28)15-10-22(27)26(14-15)17-12-20(31-3)23(33-5)21(13-17)32-4/h6-7,11-13,15H,8-10,14H2,1-5H3,(H,25,28)
InChIKeyDOIFMHNSYUCCAY-UHFFFAOYSA-N
MW474.51 g/mol
LogP2.74
Rot. Bonds11

About N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 55624339) has the molecular formula C24H30N2O8 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID55624339
Molecular FormulaC24H30N2O8
Molecular Weight474.51 g/mol
Exact Mass474.20
IUPAC NameN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOCCOc1cc(NC(=O)C2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)ccc1OC
InChIInChI=1S/C24H30N2O8/c1-29-8-9-34-19-11-16(6-7-18(19)30-2)25-24(28)15-10-22(27)26(14-15)17-12-20(31-3)23(33-5)21(13-17)32-4/h6-7,11-13,15H,8-10,14H2,1-5H3,(H,25,28)
InChIKeyDOIFMHNSYUCCAY-UHFFFAOYSA-N
XLogP2.74
TPSA104.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573017
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55624142
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 7438951
(3R)-N-(4-methylsulfonylphenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 30840186
N-(4-butylphenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55569865
methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 46586528
5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55879064
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55780336
methyl 4-[4-[(3,4-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189485

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 55624339) is N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COCCOc1cc(NC(=O)C2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)ccc1OC.
What is the InChIKey of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is DOIFMHNSYUCCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O8/c1-29-8-9-34-19-11-16(6-7-18(19)30-2)25-24(28)15-10-22(27)26(14-15)17-12-20(31-3)23(33-5)21(13-17)32-4/h6-7,11-13,15H,8-10,14H2,1-5H3,(H,25,28).
What are the key properties of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 474.51 g/mol, XLogP of 2.74, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55624339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).