5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide

C24H37N3O3 — CID 129054888

IUPAC5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide
SMILESCN(CCCCC(=O)N(C)c1ccc(CO)cc1)C(=O)CCN1CC2CCCC2C1
InChIInChI=1S/C24H37N3O3/c1-25(23(29)13-15-27-16-20-6-5-7-21(20)17-27)14-4-3-8-24(30)26(2)22-11-9-19(18-28)10-12-22/h9-12,20-21,28H,3-8,13-18H2,1-2H3
InChIKeyRSJLICFJITVBSE-UHFFFAOYSA-N
MW415.58 g/mol
LogP2.89
Rot. Bonds10

About 5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide

5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide (PubChem CID 129054888) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide
PubChem CID129054888
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide
SMILESCN(CCCCC(=O)N(C)c1ccc(CO)cc1)C(=O)CCN1CC2CCCC2C1
InChIInChI=1S/C24H37N3O3/c1-25(23(29)13-15-27-16-20-6-5-7-21(20)17-27)14-4-3-8-24(30)26(2)22-11-9-19(18-28)10-12-22/h9-12,20-21,28H,3-8,13-18H2,1-2H3
InChIKeyRSJLICFJITVBSE-UHFFFAOYSA-N
XLogP2.89
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide?
The IUPAC name of 5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide (CID 129054888) is 5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide.
What is the SMILES notation for 5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide?
The canonical SMILES for 5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide is CN(CCCCC(=O)N(C)c1ccc(CO)cc1)C(=O)CCN1CC2CCCC2C1.
What is the InChIKey of 5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide?
The InChIKey is RSJLICFJITVBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-25(23(29)13-15-27-16-20-6-5-7-21(20)17-27)14-4-3-8-24(30)26(2)22-11-9-19(18-28)10-12-22/h9-12,20-21,28H,3-8,13-18H2,1-2H3.
What are the key properties of 5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide?
5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide has a molecular weight of 415.58 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanoyl-methylamino]-N-[4-(hydroxymethyl)phenyl]-N-methylpentanamide is sourced from PubChem (CID 129054888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).