(2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide

C22H27N3O4 — CID 7420601

IUPAC(2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C22H27N3O4/c1-28-18-10-8-16(9-11-18)12-13-23-21(26)20-7-4-14-25(20)22(27)24-17-5-3-6-19(15-17)29-2/h3,5-6,8-11,15,20H,4,7,12-14H2,1-2H3,(H,23,26)(H,24,27)/t20-/m0/s1
InChIKeyVBYMZSFPGRJJCI-FQEVSTJZSA-N
MW397.48 g/mol
LogP3.06
Rot. Bonds7

About (2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide

(2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 7420601) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
PubChem CID7420601
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name(2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C22H27N3O4/c1-28-18-10-8-16(9-11-18)12-13-23-21(26)20-7-4-14-25(20)22(27)24-17-5-3-6-19(15-17)29-2/h3,5-6,8-11,15,20H,4,7,12-14H2,1-2H3,(H,23,26)(H,24,27)/t20-/m0/s1
InChIKeyVBYMZSFPGRJJCI-FQEVSTJZSA-N
XLogP3.06
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 7420605
(2R)-1-N-(3-methoxyphenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 1433427
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 7406182
1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
CID 4998458
1-N-(3-methoxyphenyl)-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 646616
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814318
(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433458
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433453
(2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1433469

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide (CID 7420601) is (2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide is COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of (2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is VBYMZSFPGRJJCI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-18-10-8-16(9-11-18)12-13-23-21(26)20-7-4-14-25(20)22(27)24-17-5-3-6-19(15-17)29-2/h3,5-6,8-11,15,20H,4,7,12-14H2,1-2H3,(H,23,26)(H,24,27)/t20-/m0/s1.
What are the key properties of (2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 7420601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).