N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C24H23NO4 — CID 78569110

IUPACN-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23NO4/c1-27-21-15-17(16-22(28-2)24(21)29-3)9-14-23(26)25-20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-16H,1-3H3,(H,25,26)
InChIKeyROXZQUTXHIVYOR-UHFFFAOYSA-N
MW389.45 g/mol
LogP5.03
Rot. Bonds7

About N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 78569110) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID78569110
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC NameN-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23NO4/c1-27-21-15-17(16-22(28-2)24(21)29-3)9-14-23(26)25-20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-16H,1-3H3,(H,25,26)
InChIKeyROXZQUTXHIVYOR-UHFFFAOYSA-N
XLogP5.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4549362
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
3-phenyl-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359677
(E)-N-(2-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7929957
N-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3338109
(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807639
(E)-3-(3-hydroxyphenyl)-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360057
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377
(E)-3-(3-amino-4-methoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359458
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8917840

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 78569110) is N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2ccc(-c3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is ROXZQUTXHIVYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-27-21-15-17(16-22(28-2)24(21)29-3)9-14-23(26)25-20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-16H,1-3H3,(H,25,26).
What are the key properties of N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 389.45 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 78569110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).