N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide

C17H24N2O — CID 82584968

IUPACN-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide
SMILESCc1cccc2c1C(NC(=O)C1CCCCC1)CNC2
InChIInChI=1S/C17H24N2O/c1-12-6-5-9-14-10-18-11-15(16(12)14)19-17(20)13-7-3-2-4-8-13/h5-6,9,13,15,18H,2-4,7-8,10-11H2,1H3,(H,19,20)
InChIKeyDHOLTBFWKSPWDQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.84
Rot. Bonds2

About N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide

N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide (PubChem CID 82584968) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide
PubChem CID82584968
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide
SMILESCc1cccc2c1C(NC(=O)C1CCCCC1)CNC2
InChIInChI=1S/C17H24N2O/c1-12-6-5-9-14-10-18-11-15(16(12)14)19-17(20)13-7-3-2-4-8-13/h5-6,9,13,15,18H,2-4,7-8,10-11H2,1H3,(H,19,20)
InChIKeyDHOLTBFWKSPWDQ-UHFFFAOYSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide (CID 82584968) is N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide is Cc1cccc2c1C(NC(=O)C1CCCCC1)CNC2.
What is the InChIKey of N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide?
The InChIKey is DHOLTBFWKSPWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-6-5-9-14-10-18-11-15(16(12)14)19-17(20)13-7-3-2-4-8-13/h5-6,9,13,15,18H,2-4,7-8,10-11H2,1H3,(H,19,20).
What are the key properties of N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide?
N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 82584968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).