N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

C17H23F3N2O4 — CID 650465

IUPACN-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccco1
InChIInChI=1S/C17H23F3N2O4/c1-25-11-9-22(16(24)17(18,19)20)14(13-8-5-10-26-13)15(23)21-12-6-3-2-4-7-12/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H,21,23)
InChIKeyWTGNFVKVQCZYLZ-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.81
Rot. Bonds7

About N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (PubChem CID 650465) has the molecular formula C17H23F3N2O4 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
PubChem CID650465
Molecular FormulaC17H23F3N2O4
Molecular Weight376.38 g/mol
Exact Mass376.16
IUPAC NameN-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccco1
InChIInChI=1S/C17H23F3N2O4/c1-25-11-9-22(16(24)17(18,19)20)14(13-8-5-10-26-13)15(23)21-12-6-3-2-4-7-12/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H,21,23)
InChIKeyWTGNFVKVQCZYLZ-UHFFFAOYSA-N
XLogP2.81
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (CID 650465) is N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is COCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccco1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The InChIKey is WTGNFVKVQCZYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O4/c1-25-11-9-22(16(24)17(18,19)20)14(13-8-5-10-26-13)15(23)21-12-6-3-2-4-7-12/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H,21,23).
What are the key properties of N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide has a molecular weight of 376.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 650465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).