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

C14H28N2O2S — CID 114829969

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(C)(C)SC)C1(C)C
InChIInChI=1S/C14H28N2O2S/c1-7-18-10-8-14(15,13(10,4)5)11(17)16-9-12(2,3)19-6/h10H,7-9,15H2,1-6H3,(H,16,17)
InChIKeyPTTFWMDEGMWLCN-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.78
Rot. Bonds6

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

1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclobutane-1-carboxamide (PubChem CID 114829969) 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-2-methylsulfanylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclobutane-1-carboxamide
PubChem CID114829969
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(C)(C)SC)C1(C)C
InChIInChI=1S/C14H28N2O2S/c1-7-18-10-8-14(15,13(10,4)5)11(17)16-9-12(2,3)19-6/h10H,7-9,15H2,1-6H3,(H,16,17)
InChIKeyPTTFWMDEGMWLCN-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 106147921
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942
1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide
CID 114827944
1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827759
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827911
1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 106842172
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539
1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 114828106
1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 105056190
1-amino-N-[2-(diethylamino)ethyl]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827775

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclobutane-1-carboxamide (CID 114829969) is 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCC(C)(C)SC)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclobutane-1-carboxamide?
The InChIKey is PTTFWMDEGMWLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-7-18-10-8-14(15,13(10,4)5)11(17)16-9-12(2,3)19-6/h10H,7-9,15H2,1-6H3,(H,16,17).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclobutane-1-carboxamide has a molecular weight of 288.46 g/mol, XLogP of 1.78, 6 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-2-methylsulfanylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114829969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).