(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide

C17H17NO3 — CID 11358044

IUPAC(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C(N)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-20-14-7-3-12(4-8-14)11-16(17(18)19)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H2,18,19)/b16-11+
InChIKeyKGTJKCQYDQJXRV-LFIBNONCSA-N
MW283.33 g/mol
LogP2.73
Rot. Bonds5

About (E)-2,3-bis(4-methoxyphenyl)prop-2-enamide

(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide (PubChem CID 11358044) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (E)-2,3-bis(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
PubChem CID11358044
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C(N)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO3/c1-20-14-7-3-12(4-8-14)11-16(17(18)19)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H2,18,19)/b16-11+
InChIKeyKGTJKCQYDQJXRV-LFIBNONCSA-N
XLogP2.73
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 143788230
2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
(E)-2-(4-methoxyphenyl)hex-2-enamide
CID 67977554
N-(2-aminophenyl)-4-methylbenzamide;(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 143788229
(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 118274610
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
2,3-bis(4-nitrophenyl)prop-2-enamide
CID 141151082
ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate
CID 67000278
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
(Z)-3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-2-phenylprop-2-en-1-one
CID 46934100
(E)-4-(4-methoxyphenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435525

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2,3-bis(4-methoxyphenyl)prop-2-enamide (CID 11358044) is (E)-2,3-bis(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2,3-bis(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2,3-bis(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C(/C(N)=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-2,3-bis(4-methoxyphenyl)prop-2-enamide?
The InChIKey is KGTJKCQYDQJXRV-LFIBNONCSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-14-7-3-12(4-8-14)11-16(17(18)19)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H2,18,19)/b16-11+.
What are the key properties of (E)-2,3-bis(4-methoxyphenyl)prop-2-enamide?
(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide has a molecular weight of 283.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 11358044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).