2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide

C15H23N3O — CID 66181525

IUPAC2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1ccccc1)C1CNC1
InChIInChI=1S/C15H23N3O/c1-3-18(14-9-16-10-14)12-15(19)17(2)11-13-7-5-4-6-8-13/h4-8,14,16H,3,9-12H2,1-2H3
InChIKeyLYBDSDZZLLBGBE-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.94
Rot. Bonds6

About 2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide

2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide (PubChem CID 66181525) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide
PubChem CID66181525
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1ccccc1)C1CNC1
InChIInChI=1S/C15H23N3O/c1-3-18(14-9-16-10-14)12-15(19)17(2)11-13-7-5-4-6-8-13/h4-8,14,16H,3,9-12H2,1-2H3
InChIKeyLYBDSDZZLLBGBE-UHFFFAOYSA-N
XLogP0.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(ethyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 66182806
N-benzyl-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912897
2-[azetidin-3-yl(ethyl)amino]-N,N-dimethylacetamide
CID 62786505
2-[azetidin-3-yl(ethyl)amino]acetic acid
CID 66184731
N-ethyl-N-(2-phenylethyl)azetidin-3-amine
CID 66182276
2-[azetidin-3-yl(ethyl)amino]-N,N-diethylacetamide
CID 66182586
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide
CID 113147870
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
(3S,4S)-N-benzyl-N,4-dimethylpyrrolidine-3-carboxamide
CID 98541238
N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
CID 66181431

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide?
The IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide (CID 66181525) is 2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide is CCN(CC(=O)N(C)Cc1ccccc1)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide?
The InChIKey is LYBDSDZZLLBGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-18(14-9-16-10-14)12-15(19)17(2)11-13-7-5-4-6-8-13/h4-8,14,16H,3,9-12H2,1-2H3.
What are the key properties of 2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide?
2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide has a molecular weight of 261.37 g/mol, XLogP of 0.94, 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-benzyl-N-methylacetamide is sourced from PubChem (CID 66181525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).