(2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide

C14H18N2O2 — CID 63238331

IUPAC(2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C14H18N2O2/c1-2-3-4-5-14(17)16-10-11-18-13-8-6-12(15)7-9-13/h2-9H,10-11,15H2,1H3,(H,16,17)/b3-2+,5-4+
InChIKeyYLGFVUNAJBQZRI-MQQKCMAXSA-N
MW246.31 g/mol
LogP1.90
Rot. Bonds6

About (2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide

(2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide (PubChem CID 63238331) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide
PubChem CID63238331
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C14H18N2O2/c1-2-3-4-5-14(17)16-10-11-18-13-8-6-12(15)7-9-13/h2-9H,10-11,15H2,1H3,(H,16,17)/b3-2+,5-4+
InChIKeyYLGFVUNAJBQZRI-MQQKCMAXSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide
CID 75266228
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide
CID 72688518
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240
(E)-4-[2-(4-methoxyphenoxy)ethylamino]-4-oxobut-2-enoic acid
CID 82036708
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate
CID 61031617
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
N-[2-(4-aminophenoxy)ethyl]-2-methylsulfonylpropanamide
CID 104517296
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847
tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
CID 139950416
N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide
CID 54915197
N-[2-(4-aminophenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 62388330

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide (CID 63238331) is (2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCCOc1ccc(N)cc1.
What is the InChIKey of (2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide?
The InChIKey is YLGFVUNAJBQZRI-MQQKCMAXSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-3-4-5-14(17)16-10-11-18-13-8-6-12(15)7-9-13/h2-9H,10-11,15H2,1H3,(H,16,17)/b3-2+,5-4+.
What are the key properties of (2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide?
(2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide has a molecular weight of 246.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 63238331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).