2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide

C23H32N2O3 — CID 42652384

IUPAC2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
SMILESCOCCNC(=O)C1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2
InChIInChI=1S/C23H32N2O3/c1-28-16-15-24-21(26)20-18-11-5-6-12-19(18)22(27)25(17-9-3-4-10-17)23(20)13-7-2-8-14-23/h5-6,11-12,17,20H,2-4,7-10,13-16H2,1H3,(H,24,26)
InChIKeyJHBHFTGASNNDKE-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.63
Rot. Bonds5

About 2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide

2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (PubChem CID 42652384) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
PubChem CID42652384
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
SMILESCOCCNC(=O)C1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2
InChIInChI=1S/C23H32N2O3/c1-28-16-15-24-21(26)20-18-11-5-6-12-19(18)22(27)25(17-9-3-4-10-17)23(20)13-7-2-8-14-23/h5-6,11-12,17,20H,2-4,7-10,13-16H2,1H3,(H,24,26)
InChIKeyJHBHFTGASNNDKE-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
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 2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The IUPAC name of 2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (CID 42652384) is 2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide is COCCNC(=O)C1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2.
What is the InChIKey of 2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The InChIKey is JHBHFTGASNNDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-28-16-15-24-21(26)20-18-11-5-6-12-19(18)22(27)25(17-9-3-4-10-17)23(20)13-7-2-8-14-23/h5-6,11-12,17,20H,2-4,7-10,13-16H2,1H3,(H,24,26).
What are the key properties of 2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide is sourced from PubChem (CID 42652384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).