1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide

C15H28N2O2S — CID 114829643

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC2(C)CCCS2)C1(C)C
InChIInChI=1S/C15H28N2O2S/c1-5-19-11-9-15(16,13(11,2)3)12(18)17-10-14(4)7-6-8-20-14/h11H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyQAUBOAGTEIFYEM-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.92
Rot. Bonds5

About 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 114829643) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID114829643
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC2(C)CCCS2)C1(C)C
InChIInChI=1S/C15H28N2O2S/c1-5-19-11-9-15(16,13(11,2)3)12(18)17-10-14(4)7-6-8-20-14/h11H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyQAUBOAGTEIFYEM-UHFFFAOYSA-N
XLogP1.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.92
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-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide (CID 114829643) is 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCC2(C)CCCS2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is QAUBOAGTEIFYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-5-19-11-9-15(16,13(11,2)3)12(18)17-10-14(4)7-6-8-20-14/h11H,5-10,16H2,1-4H3,(H,17,18).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 300.47 g/mol, XLogP of 1.92, 5 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-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 114829643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).