N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C18H20N2O — CID 24711803

IUPACN-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C18H20N2O/c1-20(13-14-7-3-2-4-8-14)18(21)17-11-15-9-5-6-10-16(15)12-19-17/h2-10,17,19H,11-13H2,1H3
InChIKeyIYJSTKGJFJBUJP-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.36
Rot. Bonds3

About N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 24711803) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID24711803
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C18H20N2O/c1-20(13-14-7-3-2-4-8-14)18(21)17-11-15-9-5-6-10-16(15)12-19-17/h2-10,17,19H,11-13H2,1H3
InChIKeyIYJSTKGJFJBUJP-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119273755
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 58715019
N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119267102
(3S)-N-methyl-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896139
(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
(3R)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64517291
(3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163193
(3R)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154242
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
CID 60963908
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43579071
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 24711803) is N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CN(Cc1ccccc1)C(=O)C1Cc2ccccc2CN1.
What is the InChIKey of N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is IYJSTKGJFJBUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(13-14-7-3-2-4-8-14)18(21)17-11-15-9-5-6-10-16(15)12-19-17/h2-10,17,19H,11-13H2,1H3.
What are the key properties of N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 24711803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).