N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

C19H22N2O2 — CID 112509751

IUPACN-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)CC2NCCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-2-23-16-9-7-15(8-10-16)21-19(22)13-18-17-6-4-3-5-14(17)11-12-20-18/h3-10,18,20H,2,11-13H2,1H3,(H,21,22)
InChIKeyNVIPDGLLSSBTIY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.30
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (PubChem CID 112509751) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
PubChem CID112509751
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)CC2NCCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-2-23-16-9-7-15(8-10-16)21-19(22)13-18-17-6-4-3-5-14(17)11-12-20-18/h3-10,18,20H,2,11-13H2,1H3,(H,21,22)
InChIKeyNVIPDGLLSSBTIY-UHFFFAOYSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509722
N-(1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509749
N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 5100540
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890821
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890819
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 2981650
propyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate
CID 112738625

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (CID 112509751) is N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is CCOc1ccc(NC(=O)CC2NCCc3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The InChIKey is NVIPDGLLSSBTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-23-16-9-7-15(8-10-16)21-19(22)13-18-17-6-4-3-5-14(17)11-12-20-18/h3-10,18,20H,2,11-13H2,1H3,(H,21,22).
What are the key properties of N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is sourced from PubChem (CID 112509751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).