N-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C17H30N2O2 — CID 102892407

IUPACN-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)C1NCC2CCCC21
InChIInChI=1S/C17H30N2O2/c20-17(16-15-9-4-6-13(15)12-19-16)18-10-5-11-21-14-7-2-1-3-8-14/h13-16,19H,1-12H2,(H,18,20)
InChIKeyIZQHDBCTZWBMKI-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.23
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102892407) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102892407
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)C1NCC2CCCC21
InChIInChI=1S/C17H30N2O2/c20-17(16-15-9-4-6-13(15)12-19-16)18-10-5-11-21-14-7-2-1-3-8-14/h13-16,19H,1-12H2,(H,18,20)
InChIKeyIZQHDBCTZWBMKI-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102892407) is N-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is O=C(NCCCOC1CCCCC1)C1NCC2CCCC21.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is IZQHDBCTZWBMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-17(16-15-9-4-6-13(15)12-19-16)18-10-5-11-21-14-7-2-1-3-8-14/h13-16,19H,1-12H2,(H,18,20).
What are the key properties of N-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102892407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).