1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide

C13H26N2O2S — CID 114829308

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCCSC)C1(C)C
InChIInChI=1S/C13H26N2O2S/c1-5-17-10-9-13(14,12(10,2)3)11(16)15-7-6-8-18-4/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyFWVIACAOWHCNKH-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.39
Rot. Bonds7

About 1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide (PubChem CID 114829308) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide
PubChem CID114829308
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCCSC)C1(C)C
InChIInChI=1S/C13H26N2O2S/c1-5-17-10-9-13(14,12(10,2)3)11(16)15-7-6-8-18-4/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyFWVIACAOWHCNKH-UHFFFAOYSA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide (CID 114829308) is 1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCCCSC)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide?
The InChIKey is FWVIACAOWHCNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-5-17-10-9-13(14,12(10,2)3)11(16)15-7-6-8-18-4/h10H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide has a molecular weight of 274.43 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114829308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).