2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide

C14H27N3O — CID 66182805

IUPAC2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide
SMILESCCN(CC(=O)NC1CCCCC1C)C1CNC1
InChIInChI=1S/C14H27N3O/c1-3-17(12-8-15-9-12)10-14(18)16-13-7-5-4-6-11(13)2/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyZMKFRFXWWXRJQB-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds5

About 2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide

2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide (PubChem CID 66182805) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide
PubChem CID66182805
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide
SMILESCCN(CC(=O)NC1CCCCC1C)C1CNC1
InChIInChI=1S/C14H27N3O/c1-3-17(12-8-15-9-12)10-14(18)16-13-7-5-4-6-11(13)2/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyZMKFRFXWWXRJQB-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 66213902
N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304066
N-(2-methylcyclohexyl)butanamide
CID 47005567
2-[azetidin-3-yl(ethyl)amino]acetic acid
CID 66184731
methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
CID 60660214
2-[azetidin-3-yl(propyl)amino]-N-cyclopropylacetamide
CID 66216105
methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate
CID 62026217
2-[azetidin-3-yl(ethyl)amino]-N,N-diethylacetamide
CID 66182586
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
2-[azetidin-3-yl(ethyl)amino]-N,N-dimethylacetamide
CID 62786505
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604907
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42951116

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide (CID 66182805) is 2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide is CCN(CC(=O)NC1CCCCC1C)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is ZMKFRFXWWXRJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-17(12-8-15-9-12)10-14(18)16-13-7-5-4-6-11(13)2/h11-13,15H,3-10H2,1-2H3,(H,16,18).
What are the key properties of 2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide?
2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 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(ethyl)amino]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 66182805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).