N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C18H20N2O2 — CID 82171879

IUPACN-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C18H20N2O2/c1-22-17-5-3-2-4-15(17)12-20-18(21)14-7-6-13-8-9-19-11-16(13)10-14/h2-7,10,19H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyQHZMIBKUFKVGOI-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.27
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 82171879) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID82171879
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C18H20N2O2/c1-22-17-5-3-2-4-15(17)12-20-18(21)14-7-6-13-8-9-19-11-16(13)10-14/h2-7,10,19H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyQHZMIBKUFKVGOI-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
N-[(2-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18189509
N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110383991
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 103830352
N-[(2-methoxyphenyl)methyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299036
4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide
CID 66649104
N-[5-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide;hydrochloride
CID 87645555
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267
N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 82171878
4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 82171879) is N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is COc1ccccc1CNC(=O)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is QHZMIBKUFKVGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-17-5-3-2-4-15(17)12-20-18(21)14-7-6-13-8-9-19-11-16(13)10-14/h2-7,10,19H,8-9,11-12H2,1H3,(H,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 82171879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).