3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide

C21H32N2O2 — CID 178168956

IUPAC3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide
SMILESCOc1ccc2c(c1)CC(CNC(=O)CCC1CCCCC1)N(C)C2
InChIInChI=1S/C21H32N2O2/c1-23-15-17-9-10-20(25-2)13-18(17)12-19(23)14-22-21(24)11-8-16-6-4-3-5-7-16/h9-10,13,16,19H,3-8,11-12,14-15H2,1-2H3,(H,22,24)
InChIKeyKXIGGBHYMRMILP-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.53
Rot. Bonds6

About 3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide

3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide (PubChem CID 178168956) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide
PubChem CID178168956
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide
SMILESCOc1ccc2c(c1)CC(CNC(=O)CCC1CCCCC1)N(C)C2
InChIInChI=1S/C21H32N2O2/c1-23-15-17-9-10-20(25-2)13-18(17)12-19(23)14-22-21(24)11-8-16-6-4-3-5-7-16/h9-10,13,16,19H,3-8,11-12,14-15H2,1-2H3,(H,22,24)
InChIKeyKXIGGBHYMRMILP-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide (CID 178168956) is 3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide is COc1ccc2c(c1)CC(CNC(=O)CCC1CCCCC1)N(C)C2.
What is the InChIKey of 3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide?
The InChIKey is KXIGGBHYMRMILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-23-15-17-9-10-20(25-2)13-18(17)12-19(23)14-22-21(24)11-8-16-6-4-3-5-7-16/h9-10,13,16,19H,3-8,11-12,14-15H2,1-2H3,(H,22,24).
What are the key properties of 3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide?
3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide has a molecular weight of 344.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 178168956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).