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

C17H18N2O2 — CID 107734305

IUPACN-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2CN1)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O2/c1-19(14-6-8-15(20)9-7-14)17(21)16-10-12-4-2-3-5-13(12)11-18-16/h2-9,16,18,20H,10-11H2,1H3
InChIKeyDKGQHKJEIKLYKC-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.07
Rot. Bonds2

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

N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 107734305) 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-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID107734305
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2CN1)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O2/c1-19(14-6-8-15(20)9-7-14)17(21)16-10-12-4-2-3-5-13(12)11-18-16/h2-9,16,18,20H,10-11H2,1H3
InChIKeyDKGQHKJEIKLYKC-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106934992
N-(4-hydroxyphenyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106704324
(3S)-N-methyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896435
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896545
(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
(2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 28739228
(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 83021398
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43265856
N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107734433
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
CID 60963908

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 107734305) is N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CN(C(=O)C1Cc2ccccc2CN1)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is DKGQHKJEIKLYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19(14-6-8-15(20)9-7-14)17(21)16-10-12-4-2-3-5-13(12)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-3-carboxamide?
N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.07, 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-3-carboxamide is sourced from PubChem (CID 107734305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).