1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide

C26H37N3O3 — CID 24966404

IUPAC1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1CCc1ccc(C2CCC3CN(C(=O)C4CCOCC4)CC32)cc1
InChIInChI=1S/C26H37N3O3/c27-25(30)24-2-1-12-28(24)13-9-18-3-5-19(6-4-18)22-8-7-21-16-29(17-23(21)22)26(31)20-10-14-32-15-11-20/h3-6,20-24H,1-2,7-17H2,(H2,27,30)
InChIKeyQOZVNHHBVNFBLK-UHFFFAOYSA-N
MW439.60 g/mol
LogP2.56
Rot. Bonds6

About 1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide

1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 24966404) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID24966404
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1CCc1ccc(C2CCC3CN(C(=O)C4CCOCC4)CC32)cc1
InChIInChI=1S/C26H37N3O3/c27-25(30)24-2-1-12-28(24)13-9-18-3-5-19(6-4-18)22-8-7-21-16-29(17-23(21)22)26(31)20-10-14-32-15-11-20/h3-6,20-24H,1-2,7-17H2,(H2,27,30)
InChIKeyQOZVNHHBVNFBLK-UHFFFAOYSA-N
XLogP2.56
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide (CID 24966404) is 1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1CCc1ccc(C2CCC3CN(C(=O)C4CCOCC4)CC32)cc1.
What is the InChIKey of 1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is QOZVNHHBVNFBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c27-25(30)24-2-1-12-28(24)13-9-18-3-5-19(6-4-18)22-8-7-21-16-29(17-23(21)22)26(31)20-10-14-32-15-11-20/h3-6,20-24H,1-2,7-17H2,(H2,27,30).
What are the key properties of 1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide?
1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24966404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).