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

C14H20N2O2 — CID 82722789

IUPACN-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(C)CONC(=O)C1CNCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-10(2)9-18-16-14(17)13-8-15-7-11-5-3-4-6-12(11)13/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyIDQLGHSXXLPWSQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.58
Rot. Bonds4

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

N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 82722789) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID82722789
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(C)CONC(=O)C1CNCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-10(2)9-18-16-14(17)13-8-15-7-11-5-3-4-6-12(11)13/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyIDQLGHSXXLPWSQ-UHFFFAOYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261033
N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262356
(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid
CID 65262155
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262629
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106175930
N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 113466553
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-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260559
methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
CID 65262240
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 82722789) is N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CC(C)CONC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is IDQLGHSXXLPWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)9-18-16-14(17)13-8-15-7-11-5-3-4-6-12(11)13/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 82722789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).