(4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide

C24H28N2O2 — CID 51718203

IUPAC(4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2
InChIInChI=1S/C24H28N2O2/c1-17(2)16-25-22(27)21-19-12-6-7-13-20(19)23(28)26(18-10-4-3-5-11-18)24(21)14-8-9-15-24/h3-7,10-13,17,21H,8-9,14-16H2,1-2H3,(H,25,27)/t21-/m0/s1
InChIKeyQLYMCBQGZCWQOZ-NRFANRHFSA-N
MW376.50 g/mol
LogP4.52
Rot. Bonds4

About (4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide

(4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide (PubChem CID 51718203) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
PubChem CID51718203
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2
InChIInChI=1S/C24H28N2O2/c1-17(2)16-25-22(27)21-19-12-6-7-13-20(19)23(28)26(18-10-4-3-5-11-18)24(21)14-8-9-15-24/h3-7,10-13,17,21H,8-9,14-16H2,1-2H3,(H,25,27)/t21-/m0/s1
InChIKeyQLYMCBQGZCWQOZ-NRFANRHFSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The IUPAC name of (4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide (CID 51718203) is (4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide.
What is the SMILES notation for (4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The canonical SMILES for (4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide is CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2.
What is the InChIKey of (4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The InChIKey is QLYMCBQGZCWQOZ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17(2)16-25-22(27)21-19-12-6-7-13-20(19)23(28)26(18-10-4-3-5-11-18)24(21)14-8-9-15-24/h3-7,10-13,17,21H,8-9,14-16H2,1-2H3,(H,25,27)/t21-/m0/s1.
What are the key properties of (4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
(4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide is sourced from PubChem (CID 51718203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).