4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide

C20H23NO5 — CID 163093777

IUPAC4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide
SMILESCOc1ccc(CCNC(=O)C=CCc2ccc(O)c(OC)c2)cc1O
InChIInChI=1S/C20H23NO5/c1-25-18-9-7-15(12-17(18)23)10-11-21-20(24)5-3-4-14-6-8-16(22)19(13-14)26-2/h3,5-9,12-13,22-23H,4,10-11H2,1-2H3,(H,21,24)
InChIKeyZGCSDBMDEGSSAY-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.57
Rot. Bonds8

About 4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide

4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide (PubChem CID 163093777) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide
PubChem CID163093777
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide
SMILESCOc1ccc(CCNC(=O)C=CCc2ccc(O)c(OC)c2)cc1O
InChIInChI=1S/C20H23NO5/c1-25-18-9-7-15(12-17(18)23)10-11-21-20(24)5-3-4-14-6-8-16(22)19(13-14)26-2/h3,5-9,12-13,22-23H,4,10-11H2,1-2H3,(H,21,24)
InChIKeyZGCSDBMDEGSSAY-UHFFFAOYSA-N
XLogP2.57
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 158723179
2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
CID 174214574
(Z)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 23276568
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide
CID 82110100
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 91086131
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 5280537
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805220
2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 67520120
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
(Z)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]prop-2-enamide
CID 134186866
propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate
CID 23563491

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide (CID 163093777) is 4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide is COc1ccc(CCNC(=O)C=CCc2ccc(O)c(OC)c2)cc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide?
The InChIKey is ZGCSDBMDEGSSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-25-18-9-7-15(12-17(18)23)10-11-21-20(24)5-3-4-14-6-8-16(22)19(13-14)26-2/h3,5-9,12-13,22-23H,4,10-11H2,1-2H3,(H,21,24).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide?
4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide has a molecular weight of 357.41 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide is sourced from PubChem (CID 163093777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).