N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide

C11H20F2N2O2 — CID 103213016

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC1(C)C(N)CC1NC(=O)CCOCC(F)F
InChIInChI=1S/C11H20F2N2O2/c1-11(2)7(14)5-8(11)15-10(16)3-4-17-6-9(12)13/h7-9H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyVCFSNBKXMVQCTL-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.90
Rot. Bonds6

About N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide

N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103213016) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103213016
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC1(C)C(N)CC1NC(=O)CCOCC(F)F
InChIInChI=1S/C11H20F2N2O2/c1-11(2)7(14)5-8(11)15-10(16)3-4-17-6-9(12)13/h7-9H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyVCFSNBKXMVQCTL-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide (CID 103213016) is N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide is CC1(C)C(N)CC1NC(=O)CCOCC(F)F.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is VCFSNBKXMVQCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-11(2)7(14)5-8(11)15-10(16)3-4-17-6-9(12)13/h7-9H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide?
N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 250.29 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103213016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).