N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C14H20N2O — CID 2942390

IUPACN-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(C)(C)NC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C14H20N2O/c1-14(2,3)15-13(17)16-9-8-11-6-4-5-7-12(11)10-16/h4-7H,8-10H2,1-3H3,(H,15,17)
InChIKeyQFVXUFDJYHLUBA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.55
Rot. Bonds

About N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 2942390) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID2942390
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(C)(C)NC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C14H20N2O/c1-14(2,3)15-13(17)16-9-8-11-6-4-5-7-12(11)10-16/h4-7H,8-10H2,1-3H3,(H,15,17)
InChIKeyQFVXUFDJYHLUBA-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113216117
N-[(E)-2,3,3-trimethylbut-1-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108915109
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 5197459
2-bromo-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 71668783
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(methylamino)propan-1-one
CID 62834313
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
3-(tert-butylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 60851992
N-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108864780
N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 119521756
N-(5-methylhexan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 78833930
N-tert-butyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109024556
[6-(tert-butylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109121833

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 2942390) is N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC(C)(C)NC(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is QFVXUFDJYHLUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,3)15-13(17)16-9-8-11-6-4-5-7-12(11)10-16/h4-7H,8-10H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 2942390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).