N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide

C18H19NO3 — CID 141461725

IUPACN-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
SMILESCOc1ccc(/C=C/c2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C18H19NO3/c1-13(20)19-16-9-6-14(7-10-16)4-5-15-8-11-17(21-2)18(12-15)22-3/h4-12H,1-3H3,(H,19,20)/b5-4+
InChIKeyYWEBJAPBEPQUMK-SNAWJCMRSA-N
MW297.35 g/mol
LogP3.83
Rot. Bonds5

About N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide

N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide (PubChem CID 141461725) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
PubChem CID141461725
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
SMILESCOc1ccc(/C=C/c2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C18H19NO3/c1-13(20)19-16-9-6-14(7-10-16)4-5-15-8-11-17(21-2)18(12-15)22-3/h4-12H,1-3H3,(H,19,20)/b5-4+
InChIKeyYWEBJAPBEPQUMK-SNAWJCMRSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-acetamidophenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 5230615
(4-acetamidophenyl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate
CID 68927471
(E)-N-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 7914176
(E)-3-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 31254061
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
N-[4-[3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 54182720
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
(E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide
CID 11068279
(E)-3-(4-acetamidophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 31252704
N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3503986
N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969664

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide (CID 141461725) is N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide is COc1ccc(/C=C/c2ccc(NC(C)=O)cc2)cc1OC.
What is the InChIKey of N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide?
The InChIKey is YWEBJAPBEPQUMK-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(20)19-16-9-6-14(7-10-16)4-5-15-8-11-17(21-2)18(12-15)22-3/h4-12H,1-3H3,(H,19,20)/b5-4+.
What are the key properties of N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide?
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide has a molecular weight of 297.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide is sourced from PubChem (CID 141461725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).