N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide

C16H30N2O2 — CID 159337962

IUPACN-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CC(NC(=O)CC(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-15(2,3)9-13(19)17-11-7-12(8-11)18-14(20)10-16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyLFTZKEDJPDRHEM-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.62
Rot. Bonds4

About N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide

N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide (PubChem CID 159337962) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide
PubChem CID159337962
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CC(NC(=O)CC(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-15(2,3)9-13(19)17-11-7-12(8-11)18-14(20)10-16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyLFTZKEDJPDRHEM-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide (CID 159337962) is N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1CC(NC(=O)CC(C)(C)C)C1.
What is the InChIKey of N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide?
The InChIKey is LFTZKEDJPDRHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(2,3)9-13(19)17-11-7-12(8-11)18-14(20)10-16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide?
N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide has a molecular weight of 282.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 159337962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).