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

C25H30N2O2 — CID 42653199

IUPACN-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
SMILESCC(C)CNC(=O)C1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2
InChIInChI=1S/C25H30N2O2/c1-18(2)17-26-23(28)22-20-13-7-8-14-21(20)24(29)27(19-11-5-3-6-12-19)25(22)15-9-4-10-16-25/h3,5-8,11-14,18,22H,4,9-10,15-17H2,1-2H3,(H,26,28)
InChIKeyRKTVHEZEGDYBMX-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.91
Rot. Bonds4

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

N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (PubChem CID 42653199) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
PubChem CID42653199
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
SMILESCC(C)CNC(=O)C1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2
InChIInChI=1S/C25H30N2O2/c1-18(2)17-26-23(28)22-20-13-7-8-14-21(20)24(29)27(19-11-5-3-6-12-19)25(22)15-9-4-10-16-25/h3,5-8,11-14,18,22H,4,9-10,15-17H2,1-2H3,(H,26,28)
InChIKeyRKTVHEZEGDYBMX-UHFFFAOYSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (CID 42653199) is N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide is CC(C)CNC(=O)C1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2.
What is the InChIKey of N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The InChIKey is RKTVHEZEGDYBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-18(2)17-26-23(28)22-20-13-7-8-14-21(20)24(29)27(19-11-5-3-6-12-19)25(22)15-9-4-10-16-25/h3,5-8,11-14,18,22H,4,9-10,15-17H2,1-2H3,(H,26,28).
What are the key properties of N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide is sourced from PubChem (CID 42653199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).