N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide

C15H22N2O — CID 115104961

IUPACN-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
SMILESCC(C)NC(=O)CCc1cccc2c1CNCC2
InChIInChI=1S/C15H22N2O/c1-11(2)17-15(18)7-6-12-4-3-5-13-8-9-16-10-14(12)13/h3-5,11,16H,6-10H2,1-2H3,(H,17,18)
InChIKeyCEHZMSCQRJODAH-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.79
Rot. Bonds4

About N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide

N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide (PubChem CID 115104961) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
PubChem CID115104961
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
SMILESCC(C)NC(=O)CCc1cccc2c1CNCC2
InChIInChI=1S/C15H22N2O/c1-11(2)17-15(18)7-6-12-4-3-5-13-8-9-16-10-14(12)13/h3-5,11,16H,6-10H2,1-2H3,(H,17,18)
InChIKeyCEHZMSCQRJODAH-UHFFFAOYSA-N
XLogP1.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
CID 115104952
N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104862
8-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104136
8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780643
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-6-yl)propanoic acid
CID 105474158
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 115105046
2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
CID 112602533
(1S)-N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethanamine
CID 137382325
1-(azepan-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-one
CID 115105051
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
CID 115105041
methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide?
The IUPAC name of N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide (CID 115104961) is N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide.
What is the SMILES notation for N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide?
The canonical SMILES for N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide is CC(C)NC(=O)CCc1cccc2c1CNCC2.
What is the InChIKey of N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide?
The InChIKey is CEHZMSCQRJODAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)17-15(18)7-6-12-4-3-5-13-8-9-16-10-14(12)13/h3-5,11,16H,6-10H2,1-2H3,(H,17,18).
What are the key properties of N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide?
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide has a molecular weight of 246.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide is sourced from PubChem (CID 115104961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).