(Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide

C19H27FN2O — CID 134391098

IUPAC(Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide
SMILESC/C=C(\N=C(/C)c1ccc(F)cc1)C(=O)N(C)C(CC)CCC
InChIInChI=1S/C19H27FN2O/c1-6-9-17(7-2)22(5)19(23)18(8-3)21-14(4)15-10-12-16(20)13-11-15/h8,10-13,17H,6-7,9H2,1-5H3/b18-8-,21-14+
InChIKeyNYQPVJBSGLRZFC-XNFDJTCHSA-N
MW318.44 g/mol
LogP4.58
Rot. Bonds7

About (Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide

(Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide (PubChem CID 134391098) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is (Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide
PubChem CID134391098
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name(Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide
SMILESC/C=C(\N=C(/C)c1ccc(F)cc1)C(=O)N(C)C(CC)CCC
InChIInChI=1S/C19H27FN2O/c1-6-9-17(7-2)22(5)19(23)18(8-3)21-14(4)15-10-12-16(20)13-11-15/h8,10-13,17H,6-7,9H2,1-5H3/b18-8-,21-14+
InChIKeyNYQPVJBSGLRZFC-XNFDJTCHSA-N
XLogP4.58
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide?
The IUPAC name of (Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide (CID 134391098) is (Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide.
What is the SMILES notation for (Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide?
The canonical SMILES for (Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide is C/C=C(\N=C(/C)c1ccc(F)cc1)C(=O)N(C)C(CC)CCC.
What is the InChIKey of (Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide?
The InChIKey is NYQPVJBSGLRZFC-XNFDJTCHSA-N. The full InChI is InChI=1S/C19H27FN2O/c1-6-9-17(7-2)22(5)19(23)18(8-3)21-14(4)15-10-12-16(20)13-11-15/h8,10-13,17H,6-7,9H2,1-5H3/b18-8-,21-14+.
What are the key properties of (Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide?
(Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide has a molecular weight of 318.44 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-(4-fluorophenyl)ethylideneamino]-N-hexan-3-yl-N-methylbut-2-enamide is sourced from PubChem (CID 134391098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).