2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C24H27N3O — CID 156907160

IUPAC2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC2CN(C)C2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H27N3O/c1-16-11-12-19(26-20-14-27(3)15-20)13-23(16)24(28)25-17(2)21-10-6-8-18-7-4-5-9-22(18)21/h4-13,17,20,26H,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1
InChIKeyKFYLPJBQPOFNLZ-QGZVFWFLSA-N
MW373.50 g/mol
LogP4.37
Rot. Bonds5

About 2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 156907160) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID156907160
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC2CN(C)C2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H27N3O/c1-16-11-12-19(26-20-14-27(3)15-20)13-23(16)24(28)25-17(2)21-10-6-8-18-7-4-5-9-22(18)21/h4-13,17,20,26H,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1
InChIKeyKFYLPJBQPOFNLZ-QGZVFWFLSA-N
XLogP4.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11290531
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 156907160) is 2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(NC2CN(C)C2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is KFYLPJBQPOFNLZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N3O/c1-16-11-12-19(26-20-14-27(3)15-20)13-23(16)24(28)25-17(2)21-10-6-8-18-7-4-5-9-22(18)21/h4-13,17,20,26H,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1.
What are the key properties of 2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-methylazetidin-3-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 156907160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).