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

C17H18N2O2 — CID 107701348

IUPACN-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCc1ccc(NC(=O)C2NCCc3ccccc32)cc1O
InChIInChI=1S/C17H18N2O2/c1-11-6-7-13(10-15(11)20)19-17(21)16-14-5-3-2-4-12(14)8-9-18-16/h2-7,10,16,18,20H,8-9H2,1H3,(H,19,21)
InChIKeyJJZNAORAIDYFGM-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.53
Rot. Bonds2

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

N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 107701348) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID107701348
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCc1ccc(NC(=O)C2NCCc3ccccc32)cc1O
InChIInChI=1S/C17H18N2O2/c1-11-6-7-13(10-15(11)20)19-17(21)16-14-5-3-2-4-12(14)8-9-18-16/h2-7,10,16,18,20H,8-9H2,1H3,(H,19,21)
InChIKeyJJZNAORAIDYFGM-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 23333350
N-(3-bromo-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107583487
methyl N-[[4-[[(1S)-1,2,3,4-tetrahydroisoquinoline-1-carbonyl]amino]phenyl]methyl]carbamate
CID 140654603
N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 114932225
N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 104617918
(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116562030
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 107701339
N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 86780202
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107852864
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 107701348) is N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is Cc1ccc(NC(=O)C2NCCc3ccccc32)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is JJZNAORAIDYFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-6-7-13(10-15(11)20)19-17(21)16-14-5-3-2-4-12(14)8-9-18-16/h2-7,10,16,18,20H,8-9H2,1H3,(H,19,21).
What are the key properties of N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 107701348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).