2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid

C24H30N2O4 — CID 22322581

IUPAC2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid
SMILESCCCN(C)C(=O)CN1CC(c2ccccc2)C(C(=O)O)C1c1ccc(OC)cc1
InChIInChI=1S/C24H30N2O4/c1-4-14-25(2)21(27)16-26-15-20(17-8-6-5-7-9-17)22(24(28)29)23(26)18-10-12-19(30-3)13-11-18/h5-13,20,22-23H,4,14-16H2,1-3H3,(H,28,29)
InChIKeyNGAZIDIHAFKFJW-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.40
Rot. Bonds8

About 2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid

2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid (PubChem CID 22322581) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid
PubChem CID22322581
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid
SMILESCCCN(C)C(=O)CN1CC(c2ccccc2)C(C(=O)O)C1c1ccc(OC)cc1
InChIInChI=1S/C24H30N2O4/c1-4-14-25(2)21(27)16-26-15-20(17-8-6-5-7-9-17)22(24(28)29)23(26)18-10-12-19(30-3)13-11-18/h5-13,20,22-23H,4,14-16H2,1-3H3,(H,28,29)
InChIKeyNGAZIDIHAFKFJW-UHFFFAOYSA-N
XLogP3.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid (CID 22322581) is 2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid is CCCN(C)C(=O)CN1CC(c2ccccc2)C(C(=O)O)C1c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is NGAZIDIHAFKFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-14-25(2)21(27)16-26-15-20(17-8-6-5-7-9-17)22(24(28)29)23(26)18-10-12-19(30-3)13-11-18/h5-13,20,22-23H,4,14-16H2,1-3H3,(H,28,29).
What are the key properties of 2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid?
2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 410.51 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 22322581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).