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

C17H18N2O2 — CID 107734433

IUPACN-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCN(C(=O)C1NCCc2ccccc21)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O2/c1-19(13-6-8-14(20)9-7-13)17(21)16-15-5-3-2-4-12(15)10-11-18-16/h2-9,16,18,20H,10-11H2,1H3
InChIKeyGRMNCABCOYTFRA-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.24
Rot. Bonds2

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

N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 107734433) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID107734433
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCN(C(=O)C1NCCc2ccccc21)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O2/c1-19(13-6-8-14(20)9-7-13)17(21)16-15-5-3-2-4-12(15)10-11-18-16/h2-9,16,18,20H,10-11H2,1H3
InChIKeyGRMNCABCOYTFRA-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 113498609
N-(4-hydroxyphenyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106704324
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107734305
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
CID 173135216
N-(4-hydroxyphenyl)-N-methylpiperidine-4-carboxamide
CID 107734326
1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 79177948
(4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116561967
N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 82948210
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 106255116

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 107734433) is N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is CN(C(=O)C1NCCc2ccccc21)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is GRMNCABCOYTFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19(13-6-8-14(20)9-7-13)17(21)16-15-5-3-2-4-12(15)10-11-18-16/h2-9,16,18,20H,10-11H2,1H3.
What are the key properties of N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 107734433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).