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

C14H21N3O — CID 66185745

IUPAC2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(C)C2CNC2)cc1
InChIInChI=1S/C14H21N3O/c1-11-3-5-12(6-4-11)7-16-14(18)10-17(2)13-8-15-9-13/h3-6,13,15H,7-10H2,1-2H3,(H,16,18)
InChIKeyHHLUNYRSQXDIOW-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.51
Rot. Bonds5

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

2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 66185745) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID66185745
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(C)C2CNC2)cc1
InChIInChI=1S/C14H21N3O/c1-11-3-5-12(6-4-11)7-16-14(18)10-17(2)13-8-15-9-13/h3-6,13,15H,7-10H2,1-2H3,(H,16,18)
InChIKeyHHLUNYRSQXDIOW-UHFFFAOYSA-N
XLogP0.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azepan-4-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 104979446
2-[(4-aminocyclohexyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 79113304
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63298312
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113147868
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27119187
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60988089
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113161771
N-(4-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922897
2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 95974994
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide
CID 61230704
N-[(4-methylphenyl)methyl]but-3-ynamide
CID 164657026
N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945744

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide (CID 66185745) is 2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(C)C2CNC2)cc1.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is HHLUNYRSQXDIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-3-5-12(6-4-11)7-16-14(18)10-17(2)13-8-15-9-13/h3-6,13,15H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 66185745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).