(E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide

C14H19N3O2 — CID 123551991

IUPAC(E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide
SMILESCC/C(=C\C(=N\C)C(=O)NC)Oc1ccc(N)cc1
InChIInChI=1S/C14H19N3O2/c1-4-11(9-13(16-2)14(18)17-3)19-12-7-5-10(15)6-8-12/h5-9H,4,15H2,1-3H3,(H,17,18)/b11-9+,16-13-
InChIKeyVLKSWAZWHYFJHD-CXOKAODSSA-N
MW261.32 g/mol
LogP1.76
Rot. Bonds5

About (E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide

(E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide (PubChem CID 123551991) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide.

Molecular Properties

Compound Name(E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide
PubChem CID123551991
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide
SMILESCC/C(=C\C(=N\C)C(=O)NC)Oc1ccc(N)cc1
InChIInChI=1S/C14H19N3O2/c1-4-11(9-13(16-2)14(18)17-3)19-12-7-5-10(15)6-8-12/h5-9H,4,15H2,1-3H3,(H,17,18)/b11-9+,16-13-
InChIKeyVLKSWAZWHYFJHD-CXOKAODSSA-N
XLogP1.76
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide?
The IUPAC name of (E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide (CID 123551991) is (E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide.
What is the SMILES notation for (E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide?
The canonical SMILES for (E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide is CC/C(=C\C(=N\C)C(=O)NC)Oc1ccc(N)cc1.
What is the InChIKey of (E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide?
The InChIKey is VLKSWAZWHYFJHD-CXOKAODSSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-11(9-13(16-2)14(18)17-3)19-12-7-5-10(15)6-8-12/h5-9H,4,15H2,1-3H3,(H,17,18)/b11-9+,16-13-.
What are the key properties of (E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide?
(E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide has a molecular weight of 261.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-aminophenoxy)-N-methyl-2-methyliminohex-3-enamide is sourced from PubChem (CID 123551991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).