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

C18H27N3O4 — CID 7406182

IUPAC(2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOCCCNC(=O)[C@H]1CCCN1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C18H27N3O4/c1-3-25-12-6-10-19-17(22)16-9-5-11-21(16)18(23)20-14-7-4-8-15(13-14)24-2/h4,7-8,13,16H,3,5-6,9-12H2,1-2H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeySVNBIWQIGMUESY-MRXNPFEDSA-N
MW349.43 g/mol
LogP2.23
Rot. Bonds8

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

(2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 7406182) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID7406182
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name(2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOCCCNC(=O)[C@H]1CCCN1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C18H27N3O4/c1-3-25-12-6-10-19-17(22)16-9-5-11-21(16)18(23)20-14-7-4-8-15(13-14)24-2/h4,7-8,13,16H,3,5-6,9-12H2,1-2H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeySVNBIWQIGMUESY-MRXNPFEDSA-N
XLogP2.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-N-(3-methoxyphenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 1433427
(2R)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 7420605
(2S)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 7420601
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
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
1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide
CID 3230210
(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
(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 (2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 7406182) is (2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is CCOCCCNC(=O)[C@H]1CCCN1C(=O)Nc1cccc(OC)c1.
What is the InChIKey of (2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is SVNBIWQIGMUESY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-3-25-12-6-10-19-17(22)16-9-5-11-21(16)18(23)20-14-7-4-8-15(13-14)24-2/h4,7-8,13,16H,3,5-6,9-12H2,1-2H3,(H,19,22)(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 7406182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).