(E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide

C14H16N4O3 — CID 83090120

IUPAC(E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2nc(OC)n[nH]2)cc1
InChIInChI=1S/C14H16N4O3/c1-3-21-11-7-4-10(5-8-11)6-9-12(19)15-13-16-14(20-2)18-17-13/h4-9H,3H2,1-2H3,(H2,15,16,17,18,19)/b9-6+
InChIKeyQANJXEOTMKOUBJ-RMKNXTFCSA-N
MW288.31 g/mol
LogP1.86
Rot. Bonds6

About (E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide

(E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide (PubChem CID 83090120) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
PubChem CID83090120
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2nc(OC)n[nH]2)cc1
InChIInChI=1S/C14H16N4O3/c1-3-21-11-7-4-10(5-8-11)6-9-12(19)15-13-16-14(20-2)18-17-13/h4-9H,3H2,1-2H3,(H2,15,16,17,18,19)/b9-6+
InChIKeyQANJXEOTMKOUBJ-RMKNXTFCSA-N
XLogP1.86
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 83101611
(E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide
CID 83092558
(E)-3-(4-ethoxyphenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)prop-2-enamide
CID 51135075
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4184713
(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide
CID 122301600
(E)-3-(5-chlorothiophen-2-yl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 104818122
(E)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 108756561
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 680257
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide (CID 83090120) is (E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2nc(OC)n[nH]2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide?
The InChIKey is QANJXEOTMKOUBJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-21-11-7-4-10(5-8-11)6-9-12(19)15-13-16-14(20-2)18-17-13/h4-9H,3H2,1-2H3,(H2,15,16,17,18,19)/b9-6+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide has a molecular weight of 288.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide is sourced from PubChem (CID 83090120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).