N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide

C20H25N2O2+ — CID 8897216

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
SMILESCOc1ccc(CCNC(=O)C[NH+]2CCc3ccccc3C2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-19-8-6-16(7-9-19)10-12-21-20(23)15-22-13-11-17-4-2-3-5-18(17)14-22/h2-9H,10-15H2,1H3,(H,21,23)/p+1
InChIKeyGLMQVLIRKMXJSH-UHFFFAOYSA-O
MW325.43 g/mol
LogP1.00
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide (PubChem CID 8897216) has the molecular formula C20H25N2O2+ and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
PubChem CID8897216
Molecular FormulaC20H25N2O2+
Molecular Weight325.43 g/mol
Exact Mass325.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
SMILESCOc1ccc(CCNC(=O)C[NH+]2CCc3ccccc3C2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-19-8-6-16(7-9-19)10-12-21-20(23)15-22-13-11-17-4-2-3-5-18(17)14-22/h2-9H,10-15H2,1H3,(H,21,23)/p+1
InChIKeyGLMQVLIRKMXJSH-UHFFFAOYSA-O
XLogP1.00
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8897490
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8519876
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8519880
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9046899
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948070
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8704403
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
N-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108948863
N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
CID 108948790
N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 42158481
N-[(4-methoxyphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759536

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide (CID 8897216) is N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide is COc1ccc(CCNC(=O)C[NH+]2CCc3ccccc3C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide?
The InChIKey is GLMQVLIRKMXJSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-8-6-16(7-9-19)10-12-21-20(23)15-22-13-11-17-4-2-3-5-18(17)14-22/h2-9H,10-15H2,1H3,(H,21,23)/p+1.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide is sourced from PubChem (CID 8897216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).