N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride

C13H27ClN2O2 — CID 119817936

IUPACN-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CC(C)(OC)C1(C)C.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-12(2)10(9-13(12,3)17-5)15-11(16)7-6-8-14-4;/h10,14H,6-9H2,1-5H3,(H,15,16);1H
InChIKeyCWDMLIDEEFBMKY-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.73
Rot. Bonds6

About N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride

N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119817936) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119817936
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CC(C)(OC)C1(C)C.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-12(2)10(9-13(12,3)17-5)15-11(16)7-6-8-14-4;/h10,14H,6-9H2,1-5H3,(H,15,16);1H
InChIKeyCWDMLIDEEFBMKY-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.73
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-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride (CID 119817936) is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NC1CC(C)(OC)C1(C)C.Cl.
What is the InChIKey of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is CWDMLIDEEFBMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-12(2)10(9-13(12,3)17-5)15-11(16)7-6-8-14-4;/h10,14H,6-9H2,1-5H3,(H,15,16);1H.
What are the key properties of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride?
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119817936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).