(E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide

C26H24N4O3 — CID 164889048

IUPAC(E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide
SMILESCOc1cc(CNC(=O)/C=C/c2ccccc2)ccc1OCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C26H24N4O3/c1-32-25-16-21(17-27-26(31)15-13-20-8-4-2-5-9-20)12-14-24(25)33-19-22-18-30(29-28-22)23-10-6-3-7-11-23/h2-16,18H,17,19H2,1H3,(H,27,31)/b15-13+
InChIKeyNSUSFFBTMYSCAK-FYWRMAATSA-N
MW440.50 g/mol
LogP4.18
Rot. Bonds9

About (E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide

(E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide (PubChem CID 164889048) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is (E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide
PubChem CID164889048
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name(E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide
SMILESCOc1cc(CNC(=O)/C=C/c2ccccc2)ccc1OCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C26H24N4O3/c1-32-25-16-21(17-27-26(31)15-13-20-8-4-2-5-9-20)12-14-24(25)33-19-22-18-30(29-28-22)23-10-6-3-7-11-23/h2-16,18H,17,19H2,1H3,(H,27,31)/b15-13+
InChIKeyNSUSFFBTMYSCAK-FYWRMAATSA-N
XLogP4.18
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide
CID 171368994
(E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide
CID 27838770
(E)-N-benzyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188981
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 42033430
(E)-3-[4-methoxy-3-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-N-[[3-methoxy-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]methyl]prop-2-enamide
CID 155531927
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 9241150
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9241050
(E)-N-benzyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 8713243
(E)-3-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]prop-2-enamide
CID 54776580
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17070188
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805144
(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 8713217

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide (CID 164889048) is (E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide is COc1cc(CNC(=O)/C=C/c2ccccc2)ccc1OCc1cn(-c2ccccc2)nn1.
What is the InChIKey of (E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide?
The InChIKey is NSUSFFBTMYSCAK-FYWRMAATSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-32-25-16-21(17-27-26(31)15-13-20-8-4-2-5-9-20)12-14-24(25)33-19-22-18-30(29-28-22)23-10-6-3-7-11-23/h2-16,18H,17,19H2,1H3,(H,27,31)/b15-13+.
What are the key properties of (E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide?
(E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide has a molecular weight of 440.50 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 164889048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).