2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide

C18H23FN4O4 — CID 35268412

IUPAC2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide
SMILESCCN(CCO)C(=O)COCC(=O)Nc1ncc(-c2ccc(F)cc2)n1C
InChIInChI=1S/C18H23FN4O4/c1-3-23(8-9-24)17(26)12-27-11-16(25)21-18-20-10-15(22(18)2)13-4-6-14(19)7-5-13/h4-7,10,24H,3,8-9,11-12H2,1-2H3,(H,20,21,25)
InChIKeyDVSKCZFNOHYDIW-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.02
Rot. Bonds9

About 2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide

2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide (PubChem CID 35268412) has the molecular formula C18H23FN4O4 and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide
PubChem CID35268412
Molecular FormulaC18H23FN4O4
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide
SMILESCCN(CCO)C(=O)COCC(=O)Nc1ncc(-c2ccc(F)cc2)n1C
InChIInChI=1S/C18H23FN4O4/c1-3-23(8-9-24)17(26)12-27-11-16(25)21-18-20-10-15(22(18)2)13-4-6-14(19)7-5-13/h4-7,10,24H,3,8-9,11-12H2,1-2H3,(H,20,21,25)
InChIKeyDVSKCZFNOHYDIW-UHFFFAOYSA-N
XLogP1.02
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide?
The IUPAC name of 2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide (CID 35268412) is 2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide?
The canonical SMILES for 2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide is CCN(CCO)C(=O)COCC(=O)Nc1ncc(-c2ccc(F)cc2)n1C.
What is the InChIKey of 2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide?
The InChIKey is DVSKCZFNOHYDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4/c1-3-23(8-9-24)17(26)12-27-11-16(25)21-18-20-10-15(22(18)2)13-4-6-14(19)7-5-13/h4-7,10,24H,3,8-9,11-12H2,1-2H3,(H,20,21,25).
What are the key properties of 2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide?
2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide has a molecular weight of 378.40 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]acetamide is sourced from PubChem (CID 35268412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).