N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide

C28H30N2O4 — CID 46902759

IUPACN-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)C[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H30N2O4/c1-33-23-12-8-21(9-13-23)26-19-30(17-16-20-6-4-3-5-7-20)28(32)25(26)18-27(31)29-22-10-14-24(34-2)15-11-22/h3-15,25-26H,16-19H2,1-2H3,(H,29,31)/t25-,26-/m1/s1
InChIKeyYFAVGPNRCDXWLT-CLJLJLNGSA-N
MW458.56 g/mol
LogP4.52
Rot. Bonds9

About N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide

N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 46902759) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
PubChem CID46902759
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC NameN-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)C[C@@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H30N2O4/c1-33-23-12-8-21(9-13-23)26-19-30(17-16-20-6-4-3-5-7-20)28(32)25(26)18-27(31)29-22-10-14-24(34-2)15-11-22/h3-15,25-26H,16-19H2,1-2H3,(H,29,31)/t25-,26-/m1/s1
InChIKeyYFAVGPNRCDXWLT-CLJLJLNGSA-N
XLogP4.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Meppep
CID 25107855
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CID 46902957
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trans-(1R,2R)-N-(cyanomethyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide (CID 46902759) is N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide is COc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)C[C@@H]2c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is YFAVGPNRCDXWLT-CLJLJLNGSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-33-23-12-8-21(9-13-23)26-19-30(17-16-20-6-4-3-5-7-20)28(32)25(26)18-27(31)29-22-10-14-24(34-2)15-11-22/h3-15,25-26H,16-19H2,1-2H3,(H,29,31)/t25-,26-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 458.56 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 46902759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).