N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide

C16H24N2O — CID 115105026

IUPACN-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
SMILESCC(C)(C)NC(=O)CCc1ccc2c(c1)CCNC2
InChIInChI=1S/C16H24N2O/c1-16(2,3)18-15(19)7-5-12-4-6-14-11-17-9-8-13(14)10-12/h4,6,10,17H,5,7-9,11H2,1-3H3,(H,18,19)
InChIKeyGUFOSXLPQWDOPN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.18
Rot. Bonds3

About N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide

N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide (PubChem CID 115105026) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
PubChem CID115105026
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
SMILESCC(C)(C)NC(=O)CCc1ccc2c(c1)CCNC2
InChIInChI=1S/C16H24N2O/c1-16(2,3)18-15(19)7-5-12-4-6-14-11-17-9-8-13(14)10-12/h4,6,10,17H,5,7-9,11H2,1-3H3,(H,18,19)
InChIKeyGUFOSXLPQWDOPN-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 115105014
2-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]propan-2-amine
CID 115104818
tert-butyl 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanoate
CID 142433320
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine
CID 115104816
N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 115104820
methyl 3-(2,3-dihydro-1H-isoindol-5-yl)propanoate
CID 115104742
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide
CID 119581012
N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 83963309
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 115104802
N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489043
3-(2,3-dihydro-1H-inden-5-yl)-N'-methylpropanehydrazide
CID 116846323
tert-butyl 4-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)piperazine-1-carboxylate
CID 112721458

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The IUPAC name of N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide (CID 115105026) is N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The canonical SMILES for N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide is CC(C)(C)NC(=O)CCc1ccc2c(c1)CCNC2.
What is the InChIKey of N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The InChIKey is GUFOSXLPQWDOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)18-15(19)7-5-12-4-6-14-11-17-9-8-13(14)10-12/h4,6,10,17H,5,7-9,11H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide is sourced from PubChem (CID 115105026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).