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

C18H20N2O — CID 104558487

IUPACN-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCc1cccc(N(C)C(=O)c2cccc3c2CCNC3)c1
InChIInChI=1S/C18H20N2O/c1-13-5-3-7-15(11-13)20(2)18(21)17-8-4-6-14-12-19-10-9-16(14)17/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyCWEFPEQOWINZMD-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.92
Rot. Bonds2

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

N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558487) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558487
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCc1cccc(N(C)C(=O)c2cccc3c2CCNC3)c1
InChIInChI=1S/C18H20N2O/c1-13-5-3-7-15(11-13)20(2)18(21)17-8-4-6-14-12-19-10-9-16(14)17/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyCWEFPEQOWINZMD-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558486
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558389
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558148
N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane
CID 91376275
N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557956
N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558764
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558154
N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557980
2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid
CID 104558460
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558808
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557961
N-methyl-N-[3-(methylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558797

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558487) is N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is Cc1cccc(N(C)C(=O)c2cccc3c2CCNC3)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is CWEFPEQOWINZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-5-3-7-15(11-13)20(2)18(21)17-8-4-6-14-12-19-10-9-16(14)17/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).