(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide

C21H25NO4 — CID 84557468

IUPAC(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
SMILESCOc1ccc(OCCNC(=O)/C=C/c2c(C)cc(OC)cc2C)cc1
InChIInChI=1S/C21H25NO4/c1-15-13-19(25-4)14-16(2)20(15)9-10-21(23)22-11-12-26-18-7-5-17(24-3)6-8-18/h5-10,13-14H,11-12H2,1-4H3,(H,22,23)/b10-9+
InChIKeyRGKOGSPQOWFROV-MDZDMXLPSA-N
MW355.43 g/mol
LogP3.53
Rot. Bonds8

About (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide

(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide (PubChem CID 84557468) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
PubChem CID84557468
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
SMILESCOc1ccc(OCCNC(=O)/C=C/c2c(C)cc(OC)cc2C)cc1
InChIInChI=1S/C21H25NO4/c1-15-13-19(25-4)14-16(2)20(15)9-10-21(23)22-11-12-26-18-7-5-17(24-3)6-8-18/h5-10,13-14H,11-12H2,1-4H3,(H,22,23)/b10-9+
InChIKeyRGKOGSPQOWFROV-MDZDMXLPSA-N
XLogP3.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide
CID 84557751
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide
CID 84557501
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 84558392
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 84557472
(E)-4-[2-(4-methoxyphenoxy)ethylamino]-4-oxobut-2-enoic acid
CID 82036708
(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 7761266
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide
CID 84552085
(E)-3-[4-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 26710370
(E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 27174006
(E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 27039844
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 613031
3-(4-methoxy-2,6-dimethylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 70019176

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide (CID 84557468) is (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide is COc1ccc(OCCNC(=O)/C=C/c2c(C)cc(OC)cc2C)cc1.
What is the InChIKey of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide?
The InChIKey is RGKOGSPQOWFROV-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15-13-19(25-4)14-16(2)20(15)9-10-21(23)22-11-12-26-18-7-5-17(24-3)6-8-18/h5-10,13-14H,11-12H2,1-4H3,(H,22,23)/b10-9+.
What are the key properties of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide?
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide has a molecular weight of 355.43 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 84557468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).