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

C19H23N2O+ — CID 7554698

IUPACN-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
SMILESCCNC(=O)c1ccc(C[NH+]2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H22N2O/c1-2-20-19(22)17-9-7-15(8-10-17)13-21-12-11-16-5-3-4-6-18(16)14-21/h3-10H,2,11-14H2,1H3,(H,20,22)/p+1
InChIKeyZWHRIHAICXNCJO-UHFFFAOYSA-O
MW295.41 g/mol
LogP1.58
Rot. Bonds4

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

N-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide (PubChem CID 7554698) has the molecular formula C19H23N2O+ and a molecular weight of 295.41 g/mol. Its IUPAC name is N-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
PubChem CID7554698
Molecular FormulaC19H23N2O+
Molecular Weight295.41 g/mol
Exact Mass295.18
IUPAC NameN-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
SMILESCCNC(=O)c1ccc(C[NH+]2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H22N2O/c1-2-20-19(22)17-9-7-15(8-10-17)13-21-12-11-16-5-3-4-6-18(16)14-21/h3-10H,2,11-14H2,1H3,(H,20,22)/p+1
InChIKeyZWHRIHAICXNCJO-UHFFFAOYSA-O
XLogP1.58
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 2260815
N-(2,6-dimethylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 7210868
N-[[(2R)-oxolan-2-yl]methyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 6970343
N-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 6980201
N-(2,5-dichlorophenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 2211142
N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 4231772
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 2193952
N-benzyl-4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzamide
CID 7410516
4-benzyl-N-ethylbenzamide
CID 134120069
N-ethylbenzamide
CID 160772566
N-ethylbenzamide;hydrochloride
CID 57444995
2-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7439429

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide (CID 7554698) is N-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide is CCNC(=O)c1ccc(C[NH+]2CCc3ccccc3C2)cc1.
What is the InChIKey of N-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide?
The InChIKey is ZWHRIHAICXNCJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N2O/c1-2-20-19(22)17-9-7-15(8-10-17)13-21-12-11-16-5-3-4-6-18(16)14-21/h3-10H,2,11-14H2,1H3,(H,20,22)/p+1.
What are the key properties of N-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide?
N-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide has a molecular weight of 295.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide is sourced from PubChem (CID 7554698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).