N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C15H20N2O — CID 65260937

IUPACN-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NCC1CCC1)C1CNCc2ccccc21
InChIInChI=1S/C15H20N2O/c18-15(17-8-11-4-3-5-11)14-10-16-9-12-6-1-2-7-13(12)14/h1-2,6-7,11,14,16H,3-5,8-10H2,(H,17,18)
InChIKeyUBGBXYJKJNMFJV-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.79
Rot. Bonds3

About N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260937) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260937
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NCC1CCC1)C1CNCc2ccccc21
InChIInChI=1S/C15H20N2O/c18-15(17-8-11-4-3-5-11)14-10-16-9-12-6-1-2-7-13(12)14/h1-2,6-7,11,14,16H,3-5,8-10H2,(H,17,18)
InChIKeyUBGBXYJKJNMFJV-UHFFFAOYSA-N
XLogP1.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260755
N-(3-cyclopentylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106011603
2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
CID 116573329
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262406
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
CID 83210191
N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 103461461
N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566002
N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 104761331
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106175930
N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260937) is N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(NCC1CCC1)C1CNCc2ccccc21.
What is the InChIKey of N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is UBGBXYJKJNMFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(17-8-11-4-3-5-11)14-10-16-9-12-6-1-2-7-13(12)14/h1-2,6-7,11,14,16H,3-5,8-10H2,(H,17,18).
What are the key properties of N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).