2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide

C12H24N2O3 — CID 79853724

IUPAC2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide
SMILESCCOC(CNC(=O)CC1(N)CCC1)OCC
InChIInChI=1S/C12H24N2O3/c1-3-16-11(17-4-2)9-14-10(15)8-12(13)6-5-7-12/h11H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyYHXPRVPCIOBJHV-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.77
Rot. Bonds8

About 2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide

2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide (PubChem CID 79853724) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide
PubChem CID79853724
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide
SMILESCCOC(CNC(=O)CC1(N)CCC1)OCC
InChIInChI=1S/C12H24N2O3/c1-3-16-11(17-4-2)9-14-10(15)8-12(13)6-5-7-12/h11H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyYHXPRVPCIOBJHV-UHFFFAOYSA-N
XLogP0.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide
CID 104678420
methyl 3-[[2-(1-aminocyclobutyl)acetyl]amino]-2-hydroxypropanoate
CID 107222781
2-(1-aminocyclobutyl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide
CID 79854632
2-(1-aminocyclobutyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 79854232
2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide
CID 64678530
2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103810631
2-(1-aminocyclopentyl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65106412
2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 113492226
3-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methoxypropanoic acid
CID 106108885
N-(2,2-diethoxyethyl)butanamide
CID 79548415
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
N,N'-bis(2,2-diethoxyethyl)pentanediamide
CID 141334867

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide (CID 79853724) is 2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide is CCOC(CNC(=O)CC1(N)CCC1)OCC.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide?
The InChIKey is YHXPRVPCIOBJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-16-11(17-4-2)9-14-10(15)8-12(13)6-5-7-12/h11H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide?
2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide has a molecular weight of 244.33 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide is sourced from PubChem (CID 79853724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).