1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide

C11H22N2O2 — CID 114827765

IUPAC1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCNC(=O)C1(N)CC(OCC)C1(C)C
InChIInChI=1S/C11H22N2O2/c1-5-13-9(14)11(12)7-8(15-6-2)10(11,3)4/h8H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyJTSUCMLMTBSLMI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds4

About 1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide

1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 114827765) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID114827765
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCNC(=O)C1(N)CC(OCC)C1(C)C
InChIInChI=1S/C11H22N2O2/c1-5-13-9(14)11(12)7-8(15-6-2)10(11,3)4/h8H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyJTSUCMLMTBSLMI-UHFFFAOYSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 106842172
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclobutane-1-carboxamide
CID 114829969
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-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 105056190
1-amino-N-[2-(diethylamino)ethyl]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827775
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-3-ethoxy-N-(4-hydroxy-2,2-dimethylbutyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 106147921
1-amino-3-ethoxy-N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 105056118

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide (CID 114827765) is 1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide is CCNC(=O)C1(N)CC(OCC)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is JTSUCMLMTBSLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-13-9(14)11(12)7-8(15-6-2)10(11,3)4/h8H,5-7,12H2,1-4H3,(H,13,14).
What are the key properties of 1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114827765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).