(E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide

C25H25NO4 — CID 27838770

IUPAC(E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C25H25NO4/c1-28-22-10-6-9-19(15-22)12-14-25(27)26-17-21-11-13-23(24(16-21)29-2)30-18-20-7-4-3-5-8-20/h3-16H,17-18H2,1-2H3,(H,26,27)/b14-12+
InChIKeyVYOFQCLWMUGADJ-WYMLVPIESA-N
MW403.48 g/mol
LogP4.61
Rot. Bonds9

About (E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide

(E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide (PubChem CID 27838770) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide
PubChem CID27838770
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name(E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C25H25NO4/c1-28-22-10-6-9-19(15-22)12-14-25(27)26-17-21-11-13-23(24(16-21)29-2)30-18-20-7-4-3-5-8-20/h3-16H,17-18H2,1-2H3,(H,26,27)/b14-12+
InChIKeyVYOFQCLWMUGADJ-WYMLVPIESA-N
XLogP4.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188981
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 9456421
(E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide
CID 171368994
(E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 55708207
4-[[3-(3-methoxyphenyl)prop-2-enoylamino]methyl]benzoic acid
CID 67079345
(E)-N-benzyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 8713243
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 8713217
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2542409
(E)-3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 27396984
(E)-N-[(3-ethoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 98812303

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide (CID 27838770) is (E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide is COc1cccc(/C=C/C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide?
The InChIKey is VYOFQCLWMUGADJ-WYMLVPIESA-N. The full InChI is InChI=1S/C25H25NO4/c1-28-22-10-6-9-19(15-22)12-14-25(27)26-17-21-11-13-23(24(16-21)29-2)30-18-20-7-4-3-5-8-20/h3-16H,17-18H2,1-2H3,(H,26,27)/b14-12+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide has a molecular weight of 403.48 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 27838770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).