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

C14H28N2O2S — CID 114829310

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(C)CSC)C1(C)C
InChIInChI=1S/C14H28N2O2S/c1-6-18-11-7-14(15,13(11,3)4)12(17)16-8-10(2)9-19-5/h10-11H,6-9,15H2,1-5H3,(H,16,17)
InChIKeyYTLONLGHECZMEM-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.63
Rot. Bonds7

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

1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide (PubChem CID 114829310) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide
PubChem CID114829310
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(C)CSC)C1(C)C
InChIInChI=1S/C14H28N2O2S/c1-6-18-11-7-14(15,13(11,3)4)12(17)16-8-10(2)9-19-5/h10-11H,6-9,15H2,1-5H3,(H,16,17)
InChIKeyYTLONLGHECZMEM-UHFFFAOYSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide (CID 114829310) is 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCC(C)CSC)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide?
The InChIKey is YTLONLGHECZMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-6-18-11-7-14(15,13(11,3)4)12(17)16-8-10(2)9-19-5/h10-11H,6-9,15H2,1-5H3,(H,16,17).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide has a molecular weight of 288.46 g/mol, XLogP of 1.63, 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-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114829310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).