(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide

C27H29NO5 — CID 121395814

IUPAC(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(OCc3ccccc3)c2)c(OC)c1
InChIInChI=1S/C27H29NO5/c1-30-23-12-10-22(25(18-23)32-3)11-14-27(29)28-16-15-20-9-13-24(31-2)26(17-20)33-19-21-7-5-4-6-8-21/h4-14,17-18H,15-16,19H2,1-3H3,(H,28,29)/b14-11+
InChIKeyWIVDFCRTXIBYAI-SDNWHVSQSA-N
MW447.53 g/mol
LogP4.66
Rot. Bonds11

About (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide

(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide (PubChem CID 121395814) has the molecular formula C27H29NO5 and a molecular weight of 447.53 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide
PubChem CID121395814
Molecular FormulaC27H29NO5
Molecular Weight447.53 g/mol
Exact Mass447.20
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(OCc3ccccc3)c2)c(OC)c1
InChIInChI=1S/C27H29NO5/c1-30-23-12-10-22(25(18-23)32-3)11-14-27(29)28-16-15-20-9-13-24(31-2)26(17-20)33-19-21-7-5-4-6-8-21/h4-14,17-18H,15-16,19H2,1-3H3,(H,28,29)/b14-11+
InChIKeyWIVDFCRTXIBYAI-SDNWHVSQSA-N
XLogP4.66
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
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-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 1178359
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 18318624
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42991733
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 11304701
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 4646130
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
CID 11326773
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
(E)-3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide;(E)-3-(3-bromo-4-methoxyphenyl)prop-2-enoic acid;2-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 158149952
(E)-3-(1-benzyltriazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 9083294
3-(2,4-dimethoxyphenyl)-N-[2-(4-iodo-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 54491467
ethane;(2E,4E)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-6-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienamide
CID 145106994

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide (CID 121395814) is (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(OCc3ccccc3)c2)c(OC)c1.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is WIVDFCRTXIBYAI-SDNWHVSQSA-N. The full InChI is InChI=1S/C27H29NO5/c1-30-23-12-10-22(25(18-23)32-3)11-14-27(29)28-16-15-20-9-13-24(31-2)26(17-20)33-19-21-7-5-4-6-8-21/h4-14,17-18H,15-16,19H2,1-3H3,(H,28,29)/b14-11+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide?
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 447.53 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 121395814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).