2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide

C18H26FN3O2 — CID 8772654

IUPAC2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C18H26FN3O2/c1-20-17(23)11-21-12-18(24)22(16-5-3-2-4-6-16)13-14-7-9-15(19)10-8-14/h7-10,16,21H,2-6,11-13H2,1H3,(H,20,23)
InChIKeySAGULSOKNZPAGQ-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.82
Rot. Bonds7

About 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide

2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide (PubChem CID 8772654) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
PubChem CID8772654
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C18H26FN3O2/c1-20-17(23)11-21-12-18(24)22(16-5-3-2-4-6-16)13-14-7-9-15(19)10-8-14/h7-10,16,21H,2-6,11-13H2,1H3,(H,20,23)
InChIKeySAGULSOKNZPAGQ-UHFFFAOYSA-N
XLogP1.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide (CID 8772654) is 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide is CNC(=O)CNCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
The InChIKey is SAGULSOKNZPAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-20-17(23)11-21-12-18(24)22(16-5-3-2-4-6-16)13-14-7-9-15(19)10-8-14/h7-10,16,21H,2-6,11-13H2,1H3,(H,20,23).
What are the key properties of 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide?
2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide has a molecular weight of 335.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide is sourced from PubChem (CID 8772654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).