N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C18H26N2O — CID 65262075

IUPACN-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC1CC(C)CC(NC(=O)C2CNCc3ccccc32)C1
InChIInChI=1S/C18H26N2O/c1-12-7-13(2)9-15(8-12)20-18(21)17-11-19-10-14-5-3-4-6-16(14)17/h3-6,12-13,15,17,19H,7-11H2,1-2H3,(H,20,21)
InChIKeyGSRZGXRDVGAWCZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.81
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65262075) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65262075
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC1CC(C)CC(NC(=O)C2CNCc3ccccc32)C1
InChIInChI=1S/C18H26N2O/c1-12-7-13(2)9-15(8-12)20-18(21)17-11-19-10-14-5-3-4-6-16(14)17/h3-6,12-13,15,17,19H,7-11H2,1-2H3,(H,20,21)
InChIKeyGSRZGXRDVGAWCZ-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65262075) is N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CC1CC(C)CC(NC(=O)C2CNCc3ccccc32)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is GSRZGXRDVGAWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-7-13(2)9-15(8-12)20-18(21)17-11-19-10-14-5-3-4-6-16(14)17/h3-6,12-13,15,17,19H,7-11H2,1-2H3,(H,20,21).
What are the key properties of N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65262075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).