methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate

C14H18N2O3 — CID 82584290

IUPACmethyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1CNCc2cc(C)ccc21
InChIInChI=1S/C14H18N2O3/c1-9-3-4-11-10(5-9)6-15-7-12(11)14(18)16-8-13(17)19-2/h3-5,12,15H,6-8H2,1-2H3,(H,16,18)
InChIKeyICLJCHIFOUKUNP-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.47
Rot. Bonds3

About methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate

methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate (PubChem CID 82584290) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
PubChem CID82584290
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1CNCc2cc(C)ccc21
InChIInChI=1S/C14H18N2O3/c1-9-3-4-11-10(5-9)6-15-7-12(11)14(18)16-8-13(17)19-2/h3-5,12,15H,6-8H2,1-2H3,(H,16,18)
InChIKeyICLJCHIFOUKUNP-UHFFFAOYSA-N
XLogP0.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate with MolForge

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Related Compounds

3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid
CID 82584306
(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone
CID 82584286
N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 104761331
4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
CID 82584938
(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 86326273
N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584448
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261022
N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588
N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 103461461
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
methyl 2-(6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
CID 105474196
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate (CID 82584290) is methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate is COC(=O)CNC(=O)C1CNCc2cc(C)ccc21.
What is the InChIKey of methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate?
The InChIKey is ICLJCHIFOUKUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-3-4-11-10(5-9)6-15-7-12(11)14(18)16-8-13(17)19-2/h3-5,12,15H,6-8H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate?
methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate has a molecular weight of 262.31 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 82584290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).