N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C15H22N2O2 — CID 104558808

IUPACN-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCCOCCN(C)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C15H22N2O2/c1-3-19-10-9-17(2)15(18)14-6-4-5-12-11-16-8-7-13(12)14/h4-6,16H,3,7-11H2,1-2H3
InChIKeyVHBNKIFDJXGHJV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.44
Rot. Bonds5

About N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558808) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558808
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCCOCCN(C)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C15H22N2O2/c1-3-19-10-9-17(2)15(18)14-6-4-5-12-11-16-8-7-13(12)14/h4-6,16H,3,7-11H2,1-2H3
InChIKeyVHBNKIFDJXGHJV-UHFFFAOYSA-N
XLogP1.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 81055211
N,N-bis(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82937646
N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558797
N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558764
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558389
N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489140
2-propoxy-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
CID 116612571
2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558154
N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide
CID 103896465
2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid
CID 104558460
N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558092

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558808) is N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is CCOCCN(C)C(=O)c1cccc2c1CCNC2.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is VHBNKIFDJXGHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-10-9-17(2)15(18)14-6-4-5-12-11-16-8-7-13(12)14/h4-6,16H,3,7-11H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).