2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide

C28H34N2O3 — CID 51053374

IUPAC2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1
InChIInChI=1S/C28H34N2O3/c1-33-22-14-12-20(13-15-22)16-19-29-26(31)25-23-10-4-5-11-24(23)27(32)30(21-8-2-3-9-21)28(25)17-6-7-18-28/h4-5,10-15,21,25H,2-3,6-9,16-19H2,1H3,(H,29,31)
InChIKeyIKIKETWGWKJRDK-UHFFFAOYSA-N
MW446.59 g/mol
LogP4.85
Rot. Bonds6

About 2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide

2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide (PubChem CID 51053374) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
PubChem CID51053374
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1
InChIInChI=1S/C28H34N2O3/c1-33-22-14-12-20(13-15-22)16-19-29-26(31)25-23-10-4-5-11-24(23)27(32)30(21-8-2-3-9-21)28(25)17-6-7-18-28/h4-5,10-15,21,25H,2-3,6-9,16-19H2,1H3,(H,29,31)
InChIKeyIKIKETWGWKJRDK-UHFFFAOYSA-N
XLogP4.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide with MolForge

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Related Compounds

2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 42652384
(4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 95792355
2-cyclopentyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 45370813
(3R,9bS)-N-[2-(4-methoxyphenyl)ethyl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7092993
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 75465740
(4S)-N,2-bis(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 39352789
N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 45370337
(3R,4R)-2-cyclopentyl-1-oxo-4-N-(2-phenylethyl)-3,4-dihydroisoquinoline-3,4-dicarboxamide
CID 137389804
N-(2-methoxyethyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 45493765
(4S)-2-(2-methoxyethyl)-N-(4-methoxyphenyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 39313671
(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
CID 124626441
methyl 3-[[2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carbonyl]amino]propanoate
CID 42652018

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide (CID 51053374) is 2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide is COc1ccc(CCNC(=O)C2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1.
What is the InChIKey of 2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The InChIKey is IKIKETWGWKJRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-33-22-14-12-20(13-15-22)16-19-29-26(31)25-23-10-4-5-11-24(23)27(32)30(21-8-2-3-9-21)28(25)17-6-7-18-28/h4-5,10-15,21,25H,2-3,6-9,16-19H2,1H3,(H,29,31).
What are the key properties of 2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide has a molecular weight of 446.59 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide is sourced from PubChem (CID 51053374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).