N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

C19H28N2O — CID 4884496

IUPACN-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1CCc2ccccc2C1
InChIInChI=1S/C19H28N2O/c1-15(19(22)20-13-16-7-3-2-4-8-16)21-12-11-17-9-5-6-10-18(17)14-21/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,20,22)
InChIKeyKEAOGVOZYAOWOY-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.13
Rot. Bonds4

About N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (PubChem CID 4884496) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
PubChem CID4884496
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1CCc2ccccc2C1
InChIInChI=1S/C19H28N2O/c1-15(19(22)20-13-16-7-3-2-4-8-16)21-12-11-17-9-5-6-10-18(17)14-21/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,20,22)
InChIKeyKEAOGVOZYAOWOY-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (CID 4884496) is N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is CC(C(=O)NCC1CCCCC1)N1CCc2ccccc2C1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The InChIKey is KEAOGVOZYAOWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15(19(22)20-13-16-7-3-2-4-8-16)21-12-11-17-9-5-6-10-18(17)14-21/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,20,22).
What are the key properties of N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide has a molecular weight of 300.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is sourced from PubChem (CID 4884496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).