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Methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate

C24H28N2O5 — CID 25246687

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate
SMILESCOC(=O)C(NC1C(C)=C(C)C(=O)N1Cc1ccc(OC)cc1)c1cccc(OC)c1
InChIInChI=1S/C24H28N2O5/c1-15-16(2)23(27)26(14-17-9-11-19(29-3)12-10-17)22(15)25-21(24(28)31-5)18-7-6-8-20(13-18)30-4/h6-13,21-22,25H,14H2,1-5H3
InChIKeyLQSRVDBUUOFYMZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.21
Rot. Bonds8

About Methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate

Methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate (PubChem CID 25246687) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate.

Molecular Properties

Compound NameMethyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate
PubChem CID25246687
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Namemethyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate
SMILESCOC(=O)C(NC1C(C)=C(C)C(=O)N1Cc1ccc(OC)cc1)c1cccc(OC)c1
InChIInChI=1S/C24H28N2O5/c1-15-16(2)23(27)26(14-17-9-11-19(29-3)12-10-17)22(15)25-21(24(28)31-5)18-7-6-8-20(13-18)30-4/h6-13,21-22,25H,14H2,1-5H3
InChIKeyLQSRVDBUUOFYMZ-UHFFFAOYSA-N
XLogP3.21
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate?
The IUPAC name of Methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate (CID 25246687) is methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate.
What is the SMILES notation for Methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate?
The canonical SMILES for Methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate is COC(=O)C(NC1C(C)=C(C)C(=O)N1Cc1ccc(OC)cc1)c1cccc(OC)c1.
What is the InChIKey of Methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate?
The InChIKey is LQSRVDBUUOFYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-15-16(2)23(27)26(14-17-9-11-19(29-3)12-10-17)22(15)25-21(24(28)31-5)18-7-6-8-20(13-18)30-4/h6-13,21-22,25H,14H2,1-5H3.
What are the key properties of Methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate?
Methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate has a molecular weight of 424.50 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-(3-methoxyphenyl)-2-[[1-[(4-methoxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]acetate is sourced from PubChem (CID 25246687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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