N-tert-butyl-2-(3-oxocyclobutyl)acetamide

C10H17NO2 — CID 121208376

IUPACN-tert-butyl-2-(3-oxocyclobutyl)acetamide
SMILESCC(C)(C)NC(=O)CC1CC(=O)C1
InChIInChI=1S/C10H17NO2/c1-10(2,3)11-9(13)6-7-4-8(12)5-7/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyXGDXFNDLLRCQKD-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds2

About N-tert-butyl-2-(3-oxocyclobutyl)acetamide

N-tert-butyl-2-(3-oxocyclobutyl)acetamide (PubChem CID 121208376) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-tert-butyl-2-(3-oxocyclobutyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-oxocyclobutyl)acetamide
PubChem CID121208376
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-tert-butyl-2-(3-oxocyclobutyl)acetamide
SMILESCC(C)(C)NC(=O)CC1CC(=O)C1
InChIInChI=1S/C10H17NO2/c1-10(2,3)11-9(13)6-7-4-8(12)5-7/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyXGDXFNDLLRCQKD-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-[5-[2-(tert-butylamino)-2-oxoethyl]-3,6-dioxo-1,4-dioxan-2-yl]acetate
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2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
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2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
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N-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-oxocyclobutyl)acetamide?
The IUPAC name of N-tert-butyl-2-(3-oxocyclobutyl)acetamide (CID 121208376) is N-tert-butyl-2-(3-oxocyclobutyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3-oxocyclobutyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(3-oxocyclobutyl)acetamide is CC(C)(C)NC(=O)CC1CC(=O)C1.
What is the InChIKey of N-tert-butyl-2-(3-oxocyclobutyl)acetamide?
The InChIKey is XGDXFNDLLRCQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)11-9(13)6-7-4-8(12)5-7/h7H,4-6H2,1-3H3,(H,11,13).
What are the key properties of N-tert-butyl-2-(3-oxocyclobutyl)acetamide?
N-tert-butyl-2-(3-oxocyclobutyl)acetamide has a molecular weight of 183.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-oxocyclobutyl)acetamide is sourced from PubChem (CID 121208376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).