N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide

C17H26N2O — CID 82585080

IUPACN-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CNCc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C17H26N2O/c1-11(2)16(20)19-15-10-18-9-12-8-13(17(3,4)5)6-7-14(12)15/h6-8,11,15,18H,9-10H2,1-5H3,(H,19,20)
InChIKeyXPWWPYBNLWMUFZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.90
Rot. Bonds2

About N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide

N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide (PubChem CID 82585080) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide
PubChem CID82585080
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CNCc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C17H26N2O/c1-11(2)16(20)19-15-10-18-9-12-8-13(17(3,4)5)6-7-14(12)15/h6-8,11,15,18H,9-10H2,1-5H3,(H,19,20)
InChIKeyXPWWPYBNLWMUFZ-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-hydroxyacetamide
CID 82585082
4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
CID 82584938
N-(1,2,3,4-tetrahydroisoquinolin-4-yl)cyclopropanecarboxamide
CID 82584883
N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide
CID 137458482
1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 11244984
4,7-bis(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115063800
(4R)-7-chloro-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
CID 96727006
2-(3-tert-butylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387262
3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
CID 82585016
2,2,2-trifluoro-N-(8-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)acetamide
CID 82585087
(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 176701262

Frequently Asked Questions

What is the IUPAC name of N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide?
The IUPAC name of N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide (CID 82585080) is N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide is CC(C)C(=O)NC1CNCc2cc(C(C)(C)C)ccc21.
What is the InChIKey of N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide?
The InChIKey is XPWWPYBNLWMUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11(2)16(20)19-15-10-18-9-12-8-13(17(3,4)5)6-7-14(12)15/h6-8,11,15,18H,9-10H2,1-5H3,(H,19,20).
What are the key properties of N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide?
N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide is sourced from PubChem (CID 82585080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).