N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide

C17H24N2O — CID 3038887

IUPACN-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide
SMILESCN1CCc2c(cccc2NC(=O)C2CCCCC2)C1
InChIInChI=1S/C17H24N2O/c1-19-11-10-15-14(12-19)8-5-9-16(15)18-17(20)13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12H2,1H3,(H,18,20)
InChIKeyIEALZUDQNHAFKI-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.19
Rot. Bonds2

About N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide

N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide (PubChem CID 3038887) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide
PubChem CID3038887
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide
SMILESCN1CCc2c(cccc2NC(=O)C2CCCCC2)C1
InChIInChI=1S/C17H24N2O/c1-19-11-10-15-14(12-19)8-5-9-16(15)18-17(20)13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12H2,1H3,(H,18,20)
InChIKeyIEALZUDQNHAFKI-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide (CID 3038887) is N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide is CN1CCc2c(cccc2NC(=O)C2CCCCC2)C1.
What is the InChIKey of N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide?
The InChIKey is IEALZUDQNHAFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19-11-10-15-14(12-19)8-5-9-16(15)18-17(20)13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12H2,1H3,(H,18,20).
What are the key properties of N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide?
N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 3038887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).