3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride

C13H27ClN2O2 — CID 119799255

IUPAC3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
SMILESCCOC1CC(N(C)C(=O)CC(C)N)C1(C)C.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-6-17-11-8-10(13(11,3)4)15(5)12(16)7-9(2)14;/h9-11H,6-8,14H2,1-5H3;1H
InChIKeyWQEUBKDRXANTEW-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.81
Rot. Bonds5

About 3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride

3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride (PubChem CID 119799255) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
PubChem CID119799255
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
SMILESCCOC1CC(N(C)C(=O)CC(C)N)C1(C)C.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-6-17-11-8-10(13(11,3)4)15(5)12(16)7-9(2)14;/h9-11H,6-8,14H2,1-5H3;1H
InChIKeyWQEUBKDRXANTEW-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride (CID 119799255) is 3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride is CCOC1CC(N(C)C(=O)CC(C)N)C1(C)C.Cl.
What is the InChIKey of 3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride?
The InChIKey is WQEUBKDRXANTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-6-17-11-8-10(13(11,3)4)15(5)12(16)7-9(2)14;/h9-11H,6-8,14H2,1-5H3;1H.
What are the key properties of 3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride?
3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119799255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).