2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate

C19H28FNO2 — CID 56596095

IUPAC2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate
SMILESCC(=O)OCCNC(CC(C)C)C1(c2ccccc2F)CCC1
InChIInChI=1S/C19H28FNO2/c1-14(2)13-18(21-11-12-23-15(3)22)19(9-6-10-19)16-7-4-5-8-17(16)20/h4-5,7-8,14,18,21H,6,9-13H2,1-3H3
InChIKeyRPWZZCPSHDVPNW-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.81
Rot. Bonds8

About 2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate

2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate (PubChem CID 56596095) has the molecular formula C19H28FNO2 and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate.

Molecular Properties

Compound Name2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate
PubChem CID56596095
Molecular FormulaC19H28FNO2
Molecular Weight321.44 g/mol
Exact Mass321.21
IUPAC Name2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate
SMILESCC(=O)OCCNC(CC(C)C)C1(c2ccccc2F)CCC1
InChIInChI=1S/C19H28FNO2/c1-14(2)13-18(21-11-12-23-15(3)22)19(9-6-10-19)16-7-4-5-8-17(16)20/h4-5,7-8,14,18,21H,6,9-13H2,1-3H3
InChIKeyRPWZZCPSHDVPNW-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate?
The IUPAC name of 2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate (CID 56596095) is 2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate.
What is the SMILES notation for 2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate?
The canonical SMILES for 2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate is CC(=O)OCCNC(CC(C)C)C1(c2ccccc2F)CCC1.
What is the InChIKey of 2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate?
The InChIKey is RPWZZCPSHDVPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO2/c1-14(2)13-18(21-11-12-23-15(3)22)19(9-6-10-19)16-7-4-5-8-17(16)20/h4-5,7-8,14,18,21H,6,9-13H2,1-3H3.
What are the key properties of 2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate?
2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate has a molecular weight of 321.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[1-(2-fluorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl acetate is sourced from PubChem (CID 56596095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).