1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide

C25H31N3O4 — CID 55559888

IUPAC1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCC(c3ccccc3OC)N3CCCC3)CC2=O)c1
InChIInChI=1S/C25H31N3O4/c1-31-20-9-7-8-19(15-20)28-17-18(14-24(28)29)25(30)26-16-22(27-12-5-6-13-27)21-10-3-4-11-23(21)32-2/h3-4,7-11,15,18,22H,5-6,12-14,16-17H2,1-2H3,(H,26,30)
InChIKeyUDNSBZPAXOCXBH-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.01
Rot. Bonds8

About 1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55559888) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55559888
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCC(c3ccccc3OC)N3CCCC3)CC2=O)c1
InChIInChI=1S/C25H31N3O4/c1-31-20-9-7-8-19(15-20)28-17-18(14-24(28)29)25(30)26-16-22(27-12-5-6-13-27)21-10-3-4-11-23(21)32-2/h3-4,7-11,15,18,22H,5-6,12-14,16-17H2,1-2H3,(H,26,30)
InChIKeyUDNSBZPAXOCXBH-UHFFFAOYSA-N
XLogP3.01
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578254
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 110620533
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573087
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43053344
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 112758677
(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9376616
1-(2-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55329328
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51933605

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide (CID 55559888) is 1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)NCC(c3ccccc3OC)N3CCCC3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UDNSBZPAXOCXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-31-20-9-7-8-19(15-20)28-17-18(14-24(28)29)25(30)26-16-22(27-12-5-6-13-27)21-10-3-4-11-23(21)32-2/h3-4,7-11,15,18,22H,5-6,12-14,16-17H2,1-2H3,(H,26,30).
What are the key properties of 1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55559888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).