1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide

C16H23FN2O2 — CID 114829091

IUPAC1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(C)c2cccc(F)c2)C1(C)C
InChIInChI=1S/C16H23FN2O2/c1-5-21-13-10-16(18,15(13,2)3)14(20)19(4)12-8-6-7-11(17)9-12/h6-9,13H,5,10,18H2,1-4H3
InChIKeyJQRIOEIIWDLPQU-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.32
Rot. Bonds4

About 1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide

1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide (PubChem CID 114829091) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide
PubChem CID114829091
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(C)c2cccc(F)c2)C1(C)C
InChIInChI=1S/C16H23FN2O2/c1-5-21-13-10-16(18,15(13,2)3)14(20)19(4)12-8-6-7-11(17)9-12/h6-9,13H,5,10,18H2,1-4H3
InChIKeyJQRIOEIIWDLPQU-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide (CID 114829091) is 1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)N(C)c2cccc(F)c2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide?
The InChIKey is JQRIOEIIWDLPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-5-21-13-10-16(18,15(13,2)3)14(20)19(4)12-8-6-7-11(17)9-12/h6-9,13H,5,10,18H2,1-4H3.
What are the key properties of 1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114829091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).