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

C18H20N2O — CID 104558148

IUPACN-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cccc3c2CCNC3)c1
InChIInChI=1S/C18H20N2O/c1-13-4-2-5-14(10-13)11-20-18(21)17-7-3-6-15-12-19-9-8-16(15)17/h2-7,10,19H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyXQMNOJFVFLZARK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.57
Rot. Bonds3

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

N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558148) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558148
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cccc3c2CCNC3)c1
InChIInChI=1S/C18H20N2O/c1-13-4-2-5-14(10-13)11-20-18(21)17-7-3-6-15-12-19-9-8-16(15)17/h2-7,10,19H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyXQMNOJFVFLZARK-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 106396533
N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558487
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558154
2,2-dimethyl-3-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)propanoic acid
CID 104558852
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614657
N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557980
N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558596
N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107317575
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557935

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558148) is N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is Cc1cccc(CNC(=O)c2cccc3c2CCNC3)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is XQMNOJFVFLZARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-4-2-5-14(10-13)11-20-18(21)17-7-3-6-15-12-19-9-8-16(15)17/h2-7,10,19H,8-9,11-12H2,1H3,(H,20,21).
What are the key properties of N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).