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

C24H27N3O — CID 156907182

IUPAC5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(N(C)C2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H27N3O/c1-16-11-12-19(27(3)20-14-25-15-20)13-23(16)24(28)26-17(2)21-10-6-8-18-7-4-5-9-22(18)21/h4-13,17,20,25H,14-15H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyAHSFEVIQKXHKSE-QGZVFWFLSA-N
MW373.50 g/mol
LogP4.05
Rot. Bonds5

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

5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 156907182) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID156907182
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(N(C)C2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H27N3O/c1-16-11-12-19(27(3)20-14-25-15-20)13-23(16)24(28)26-17(2)21-10-6-8-18-7-4-5-9-22(18)21/h4-13,17,20,25H,14-15H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyAHSFEVIQKXHKSE-QGZVFWFLSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 156907182) is 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(N(C)C2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is AHSFEVIQKXHKSE-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N3O/c1-16-11-12-19(27(3)20-14-25-15-20)13-23(16)24(28)26-17(2)21-10-6-8-18-7-4-5-9-22(18)21/h4-13,17,20,25H,14-15H2,1-3H3,(H,26,28)/t17-/m1/s1.
What are the key properties of 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 156907182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).