N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide

C17H28F2N2O4 — CID 164604550

IUPACN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCOCC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C17H28F2N2O4/c1-12(25-11-14-3-5-17(18,19)6-4-14)15(20-13(2)22)16(23)21-7-9-24-10-8-21/h12,14-15H,3-11H2,1-2H3,(H,20,22)
InChIKeyBTBLKUCXIOVQBJ-UHFFFAOYSA-N
MW362.42 g/mol
LogP1.58
Rot. Bonds6

About N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide (PubChem CID 164604550) has the molecular formula C17H28F2N2O4 and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide
PubChem CID164604550
Molecular FormulaC17H28F2N2O4
Molecular Weight362.42 g/mol
Exact Mass362.20
IUPAC NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCOCC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C17H28F2N2O4/c1-12(25-11-14-3-5-17(18,19)6-4-14)15(20-13(2)22)16(23)21-7-9-24-10-8-21/h12,14-15H,3-11H2,1-2H3,(H,20,22)
InChIKeyBTBLKUCXIOVQBJ-UHFFFAOYSA-N
XLogP1.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide (CID 164604550) is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCOCC1)C(C)OCC1CCC(F)(F)CC1.
What is the InChIKey of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide?
The InChIKey is BTBLKUCXIOVQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N2O4/c1-12(25-11-14-3-5-17(18,19)6-4-14)15(20-13(2)22)16(23)21-7-9-24-10-8-21/h12,14-15H,3-11H2,1-2H3,(H,20,22).
What are the key properties of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide?
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide has a molecular weight of 362.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 164604550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).