2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C18H21N3O4 — CID 3221395

IUPAC2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCCC2C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H21N3O4/c1-24-14-6-2-5-13(11-14)20-18(23)21-9-3-8-16(21)17(22)19-12-15-7-4-10-25-15/h2,4-7,10-11,16H,3,8-9,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyBAUBHSSXITXMDS-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.60
Rot. Bonds5

About 2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3221395) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3221395
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCCC2C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H21N3O4/c1-24-14-6-2-5-13(11-14)20-18(23)21-9-3-8-16(21)17(22)19-12-15-7-4-10-25-15/h2,4-7,10-11,16H,3,8-9,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyBAUBHSSXITXMDS-UHFFFAOYSA-N
XLogP2.60
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 3221395) is 2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1cccc(NC(=O)N2CCCC2C(=O)NCc2ccco2)c1.
What is the InChIKey of 2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is BAUBHSSXITXMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-14-6-2-5-13(11-14)20-18(23)21-9-3-8-16(21)17(22)19-12-15-7-4-10-25-15/h2,4-7,10-11,16H,3,8-9,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3221395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).