N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C12H16N2O2 — CID 104558389

IUPACN-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCON(C)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C12H16N2O2/c1-14(16-2)12(15)11-5-3-4-9-8-13-7-6-10(9)11/h3-5,13H,6-8H2,1-2H3
InChIKeyDTLGTIYMMBUKMO-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.97
Rot. Bonds2

About N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558389) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558389
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCON(C)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C12H16N2O2/c1-14(16-2)12(15)11-5-3-4-9-8-13-7-6-10(9)11/h3-5,13H,6-8H2,1-2H3
InChIKeyDTLGTIYMMBUKMO-UHFFFAOYSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
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-(2-hydroxy-2-methylpropyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558764
N-methyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558486
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558808
N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558487
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558154
N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557956
2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid
CID 104558460
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558171
N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558797
N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558608
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558389) is N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is CON(C)C(=O)c1cccc2c1CCNC2.
What is the InChIKey of N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is DTLGTIYMMBUKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(16-2)12(15)11-5-3-4-9-8-13-7-6-10(9)11/h3-5,13H,6-8H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).