2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide

C16H31N3O — CID 66213902

IUPAC2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCCCN(CC(=O)NC1CCCC(C)C1C)C1CNC1
InChIInChI=1S/C16H31N3O/c1-4-8-19(14-9-17-10-14)11-16(20)18-15-7-5-6-12(2)13(15)3/h12-15,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyALLFEZBYHBHMKE-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds6

About 2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide

2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 66213902) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID66213902
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCCCN(CC(=O)NC1CCCC(C)C1C)C1CNC1
InChIInChI=1S/C16H31N3O/c1-4-8-19(14-9-17-10-14)11-16(20)18-15-7-5-6-12(2)13(15)3/h12-15,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyALLFEZBYHBHMKE-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304066
2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 66182805
2-[azetidin-3-yl(propyl)amino]-N-cyclopropylacetamide
CID 66216105
N-ethyl-2-[piperidin-3-yl(propyl)amino]acetamide
CID 63638025
N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 11934719
2-[(4-aminocyclohexyl)-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 79113302
N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921661
N-(cyclopropylmethyl)-2-[piperidin-3-yl(propyl)amino]acetamide
CID 55245887
N-(2,3-dimethylcyclohexyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398199
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
2-[azetidin-3-yl(propyl)amino]-N,N-dimethylacetamide
CID 62784248
N-methyl-2-[(5-methylpiperidin-3-yl)-propylamino]acetamide
CID 115373436

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide (CID 66213902) is 2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide is CCCN(CC(=O)NC1CCCC(C)C1C)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is ALLFEZBYHBHMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-8-19(14-9-17-10-14)11-16(20)18-15-7-5-6-12(2)13(15)3/h12-15,17H,4-11H2,1-3H3,(H,18,20).
What are the key properties of 2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide?
2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 66213902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).