N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

C24H25N2O2+ — CID 4231772

IUPACN-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(C[NH+]3CCc4ccccc4C3)cc2)c1
InChIInChI=1S/C24H24N2O2/c1-28-23-8-4-7-22(15-23)25-24(27)20-11-9-18(10-12-20)16-26-14-13-19-5-2-3-6-21(19)17-26/h2-12,15H,13-14,16-17H2,1H3,(H,25,27)/p+1
InChIKeyWFZDQZHEMCUHBQ-UHFFFAOYSA-O
MW373.48 g/mol
LogP3.09
Rot. Bonds5

About N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide (PubChem CID 4231772) has the molecular formula C24H25N2O2+ and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
PubChem CID4231772
Molecular FormulaC24H25N2O2+
Molecular Weight373.48 g/mol
Exact Mass373.19
IUPAC NameN-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(C[NH+]3CCc4ccccc4C3)cc2)c1
InChIInChI=1S/C24H24N2O2/c1-28-23-8-4-7-22(15-23)25-24(27)20-11-9-18(10-12-20)16-26-14-13-19-5-2-3-6-21(19)17-26/h2-12,15H,13-14,16-17H2,1H3,(H,25,27)/p+1
InChIKeyWFZDQZHEMCUHBQ-UHFFFAOYSA-O
XLogP3.09
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 7480755
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 2193952
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-(2,5-dichlorophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 2211142
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98000866
1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049073
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1289534

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide (CID 4231772) is N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide is COc1cccc(NC(=O)c2ccc(C[NH+]3CCc4ccccc4C3)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide?
The InChIKey is WFZDQZHEMCUHBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24N2O2/c1-28-23-8-4-7-22(15-23)25-24(27)20-11-9-18(10-12-20)16-26-14-13-19-5-2-3-6-21(19)17-26/h2-12,15H,13-14,16-17H2,1H3,(H,25,27)/p+1.
What are the key properties of N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide?
N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide has a molecular weight of 373.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide is sourced from PubChem (CID 4231772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).