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

C12H21F3N2O3 — CID 105055889

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(O)C(F)(F)F)C1(C)C
InChIInChI=1S/C12H21F3N2O3/c1-4-20-8-5-11(16,10(8,2)3)9(19)17-6-7(18)12(13,14)15/h7-8,18H,4-6,16H2,1-3H3,(H,17,19)
InChIKeyGVZBRYHRLAZQED-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.56
Rot. Bonds5

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

1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide (PubChem CID 105055889) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide
PubChem CID105055889
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC(O)C(F)(F)F)C1(C)C
InChIInChI=1S/C12H21F3N2O3/c1-4-20-8-5-11(16,10(8,2)3)9(19)17-6-7(18)12(13,14)15/h7-8,18H,4-6,16H2,1-3H3,(H,17,19)
InChIKeyGVZBRYHRLAZQED-UHFFFAOYSA-N
XLogP0.56
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
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-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide (CID 105055889) is 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCC(O)C(F)(F)F)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide?
The InChIKey is GVZBRYHRLAZQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-4-20-8-5-11(16,10(8,2)3)9(19)17-6-7(18)12(13,14)15/h7-8,18H,4-6,16H2,1-3H3,(H,17,19).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 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-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 105055889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).