2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide

C16H25N3O — CID 66182806

IUPAC2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCCN(CC(=O)N(C)Cc1ccc(C)cc1)C1CNC1
InChIInChI=1S/C16H25N3O/c1-4-19(15-9-17-10-15)12-16(20)18(3)11-14-7-5-13(2)6-8-14/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyCOTNBMFXHJOKGM-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.25
Rot. Bonds6

About 2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide

2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 66182806) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID66182806
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCCN(CC(=O)N(C)Cc1ccc(C)cc1)C1CNC1
InChIInChI=1S/C16H25N3O/c1-4-19(15-9-17-10-15)12-16(20)18(3)11-14-7-5-13(2)6-8-14/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyCOTNBMFXHJOKGM-UHFFFAOYSA-N
XLogP1.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 66182806) is 2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is CCN(CC(=O)N(C)Cc1ccc(C)cc1)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is COTNBMFXHJOKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-19(15-9-17-10-15)12-16(20)18(3)11-14-7-5-13(2)6-8-14/h5-8,15,17H,4,9-12H2,1-3H3.
What are the key properties of 2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 66182806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).