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

C24H31N2O+ — CID 6980201

IUPACN-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
SMILESO=C(NC1CCCCCC1)c1ccc(C[NH+]2CCc3ccccc3C2)cc1
InChIInChI=1S/C24H30N2O/c27-24(25-23-9-3-1-2-4-10-23)21-13-11-19(12-14-21)17-26-16-15-20-7-5-6-8-22(20)18-26/h5-8,11-14,23H,1-4,9-10,15-18H2,(H,25,27)/p+1
InChIKeyJENGUUDAHAOGLC-UHFFFAOYSA-O
MW363.52 g/mol
LogP3.28
Rot. Bonds4

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

N-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide (PubChem CID 6980201) has the molecular formula C24H31N2O+ and a molecular weight of 363.52 g/mol. Its IUPAC name is N-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
PubChem CID6980201
Molecular FormulaC24H31N2O+
Molecular Weight363.52 g/mol
Exact Mass363.24
IUPAC NameN-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
SMILESO=C(NC1CCCCCC1)c1ccc(C[NH+]2CCc3ccccc3C2)cc1
InChIInChI=1S/C24H30N2O/c27-24(25-23-9-3-1-2-4-10-23)21-13-11-19(12-14-21)17-26-16-15-20-7-5-6-8-22(20)18-26/h5-8,11-14,23H,1-4,9-10,15-18H2,(H,25,27)/p+1
InChIKeyJENGUUDAHAOGLC-UHFFFAOYSA-O
XLogP3.28
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 7554698
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-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7457311
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
N-cyclohexyl-4-[2-(2-hydroxyphenyl)-2-oxoethyl]benzamide
CID 158685330
N-cyclohexyl-4-(4-pentylphenyl)benzamide
CID 3315464
4-butyl-N-cyclopentylbenzamide
CID 60674795
4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
CID 29206004
N-cyclohexyl-4-(2-pyridin-4-ylethyl)benzamide
CID 67802758

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide?
The IUPAC name of N-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide (CID 6980201) is N-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide.
What is the SMILES notation for N-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide?
The canonical SMILES for N-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide is O=C(NC1CCCCCC1)c1ccc(C[NH+]2CCc3ccccc3C2)cc1.
What is the InChIKey of N-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide?
The InChIKey is JENGUUDAHAOGLC-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H30N2O/c27-24(25-23-9-3-1-2-4-10-23)21-13-11-19(12-14-21)17-26-16-15-20-7-5-6-8-22(20)18-26/h5-8,11-14,23H,1-4,9-10,15-18H2,(H,25,27)/p+1.
What are the key properties of N-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide?
N-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide has a molecular weight of 363.52 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide is sourced from PubChem (CID 6980201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).