1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide

C22H27N3O — CID 69174075

IUPAC1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide
SMILESCN1CCc2cc(NC(=O)C3(C)CCN3Cc3ccccc3)ccc2C1
InChIInChI=1S/C22H27N3O/c1-22(11-13-25(22)15-17-6-4-3-5-7-17)21(26)23-20-9-8-19-16-24(2)12-10-18(19)14-20/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyHCPYRJCNSGUMLF-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.28
Rot. Bonds4

About 1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide

1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide (PubChem CID 69174075) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide
PubChem CID69174075
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide
SMILESCN1CCc2cc(NC(=O)C3(C)CCN3Cc3ccccc3)ccc2C1
InChIInChI=1S/C22H27N3O/c1-22(11-13-25(22)15-17-6-4-3-5-7-17)21(26)23-20-9-8-19-16-24(2)12-10-18(19)14-20/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyHCPYRJCNSGUMLF-UHFFFAOYSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide?
The IUPAC name of 1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide (CID 69174075) is 1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide?
The canonical SMILES for 1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide is CN1CCc2cc(NC(=O)C3(C)CCN3Cc3ccccc3)ccc2C1.
What is the InChIKey of 1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide?
The InChIKey is HCPYRJCNSGUMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-22(11-13-25(22)15-17-6-4-3-5-7-17)21(26)23-20-9-8-19-16-24(2)12-10-18(19)14-20/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26).
What are the key properties of 1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide?
1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide is sourced from PubChem (CID 69174075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).