3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide

C23H27N3O — CID 32767690

IUPAC3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide
SMILESCC(C)(CNC(=O)CCc1ccc(C#N)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C23H27N3O/c1-23(2,26-14-13-20-5-3-4-6-21(20)16-26)17-25-22(27)12-11-18-7-9-19(15-24)10-8-18/h3-10H,11-14,16-17H2,1-2H3,(H,25,27)
InChIKeyARLXJHTYPWCUHI-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.44
Rot. Bonds6

About 3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide

3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide (PubChem CID 32767690) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide
PubChem CID32767690
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide
SMILESCC(C)(CNC(=O)CCc1ccc(C#N)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C23H27N3O/c1-23(2,26-14-13-20-5-3-4-6-21(20)16-26)17-25-22(27)12-11-18-7-9-19(15-24)10-8-18/h3-10H,11-14,16-17H2,1-2H3,(H,25,27)
InChIKeyARLXJHTYPWCUHI-UHFFFAOYSA-N
XLogP3.44
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide (CID 32767690) is 3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide is CC(C)(CNC(=O)CCc1ccc(C#N)cc1)N1CCc2ccccc2C1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide?
The InChIKey is ARLXJHTYPWCUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-23(2,26-14-13-20-5-3-4-6-21(20)16-26)17-25-22(27)12-11-18-7-9-19(15-24)10-8-18/h3-10H,11-14,16-17H2,1-2H3,(H,25,27).
What are the key properties of 3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide?
3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide has a molecular weight of 361.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide is sourced from PubChem (CID 32767690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).