2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide

C17H25FN2O — CID 91289145

IUPAC2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide
SMILES[H]/N=C(\C)C(CCC(C)C)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-12(2)7-8-16(13(3)19)17(21)20-10-9-14-5-4-6-15(18)11-14/h4-6,11-12,16,19H,7-10H2,1-3H3,(H,20,21)/b19-13+
InChIKeySKMASXFBDGFDAP-CPNJWEJPSA-N
MW292.40 g/mol
LogP3.58
Rot. Bonds8

About 2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide

2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide (PubChem CID 91289145) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide.

Molecular Properties

Compound Name2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide
PubChem CID91289145
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide
SMILES[H]/N=C(\C)C(CCC(C)C)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-12(2)7-8-16(13(3)19)17(21)20-10-9-14-5-4-6-15(18)11-14/h4-6,11-12,16,19H,7-10H2,1-3H3,(H,20,21)/b19-13+
InChIKeySKMASXFBDGFDAP-CPNJWEJPSA-N
XLogP3.58
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide?
The IUPAC name of 2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide (CID 91289145) is 2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide.
What is the SMILES notation for 2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide?
The canonical SMILES for 2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide is [H]/N=C(\C)C(CCC(C)C)C(=O)NCCc1cccc(F)c1.
What is the InChIKey of 2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide?
The InChIKey is SKMASXFBDGFDAP-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12(2)7-8-16(13(3)19)17(21)20-10-9-14-5-4-6-15(18)11-14/h4-6,11-12,16,19H,7-10H2,1-3H3,(H,20,21)/b19-13+.
What are the key properties of 2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide?
2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide has a molecular weight of 292.40 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-N-[2-(3-fluorophenyl)ethyl]-5-methylhexanamide is sourced from PubChem (CID 91289145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).