1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C19H23N3O4 — CID 3230274

IUPAC1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H23N3O4/c1-2-25-15-9-7-14(8-10-15)21-19(24)22-11-3-6-17(22)18(23)20-13-16-5-4-12-26-16/h4-5,7-10,12,17H,2-3,6,11,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyKIHFHZUAHPNDMO-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.99
Rot. Bonds6

About 1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230274) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230274
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H23N3O4/c1-2-25-15-9-7-14(8-10-15)21-19(24)22-11-3-6-17(22)18(23)20-13-16-5-4-12-26-16/h4-5,7-10,12,17H,2-3,6,11,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyKIHFHZUAHPNDMO-UHFFFAOYSA-N
XLogP2.99
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 3230274) is 1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is CCOc1ccc(NC(=O)N2CCCC2C(=O)NCc2ccco2)cc1.
What is the InChIKey of 1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is KIHFHZUAHPNDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-2-25-15-9-7-14(8-10-15)21-19(24)22-11-3-6-17(22)18(23)20-13-16-5-4-12-26-16/h4-5,7-10,12,17H,2-3,6,11,13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).