(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C20H23N3O4 — CID 1468886

IUPAC(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(OC)c2)c1
InChIInChI=1S/C20H23N3O4/c1-26-16-8-3-6-14(12-16)21-19(24)18-10-5-11-23(18)20(25)22-15-7-4-9-17(13-15)27-2/h3-4,6-9,12-13,18H,5,10-11H2,1-2H3,(H,21,24)(H,22,25)/t18-/m1/s1
InChIKeyMIPPHINWKJVIQZ-GOSISDBHSA-N
MW369.42 g/mol
LogP3.34
Rot. Bonds5

About (2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1468886) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1468886
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(OC)c2)c1
InChIInChI=1S/C20H23N3O4/c1-26-16-8-3-6-14(12-16)21-19(24)18-10-5-11-23(18)20(25)22-15-7-4-9-17(13-15)27-2/h3-4,6-9,12-13,18H,5,10-11H2,1-2H3,(H,21,24)(H,22,25)/t18-/m1/s1
InChIKeyMIPPHINWKJVIQZ-GOSISDBHSA-N
XLogP3.34
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219712
(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433458
1-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219782
1-N-(3-methoxyphenyl)-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 646616
1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
CID 4998458
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 774408
phenyl 2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127519

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 1468886) is (2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(OC)c2)c1.
What is the InChIKey of (2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is MIPPHINWKJVIQZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-16-8-3-6-14(12-16)21-19(24)18-10-5-11-23(18)20(25)22-15-7-4-9-17(13-15)27-2/h3-4,6-9,12-13,18H,5,10-11H2,1-2H3,(H,21,24)(H,22,25)/t18-/m1/s1.
What are the key properties of (2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1468886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).