N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide

C32H32FNO7 — CID 71535344

IUPACN-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide
SMILESCOc1ccc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(OC)c(OC)c2)C(NC(C)=O)c2ccccc2F)cc1OC
InChIInChI=1S/C32H32FNO7/c1-20(35)34-32(23-8-6-7-9-24(23)33)31(25(36)14-10-21-12-16-27(38-2)29(18-21)40-4)26(37)15-11-22-13-17-28(39-3)30(19-22)41-5/h6-19,31-32H,1-5H3,(H,34,35)/b14-10+,15-11+
InChIKeyRPXZJJYMVRSTEN-WFYKWJGLSA-N
MW561.61 g/mol
LogP5.22
Rot. Bonds13

About N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide

N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide (PubChem CID 71535344) has the molecular formula C32H32FNO7 and a molecular weight of 561.61 g/mol. Its IUPAC name is N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide
PubChem CID71535344
Molecular FormulaC32H32FNO7
Molecular Weight561.61 g/mol
Exact Mass561.22
IUPAC NameN-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide
SMILESCOc1ccc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(OC)c(OC)c2)C(NC(C)=O)c2ccccc2F)cc1OC
InChIInChI=1S/C32H32FNO7/c1-20(35)34-32(23-8-6-7-9-24(23)33)31(25(36)14-10-21-12-16-27(38-2)29(18-21)40-4)26(37)15-11-22-13-17-28(39-3)30(19-22)41-5/h6-19,31-32H,1-5H3,(H,34,35)/b14-10+,15-11+
InChIKeyRPXZJJYMVRSTEN-WFYKWJGLSA-N
XLogP5.22
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.61
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-oxo-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]acetamide
CID 78102524
N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide
CID 78102622
N-[(E)-1-(3-bromophenyl)-5-(4-hydroxy-3-methoxyphenyl)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxopent-4-enyl]acetamide
CID 71535628
5-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-oxopent-4-enal
CID 91312479
(E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide
CID 51149237
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726481
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
1,7-bis(3,4-dimethoxyphenyl)-4-(3-phenylprop-2-enyl)hepta-1,6-diene-3,5-dione
CID 91286351
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide?
The IUPAC name of N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide (CID 71535344) is N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide.
What is the SMILES notation for N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide?
The canonical SMILES for N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide is COc1ccc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(OC)c(OC)c2)C(NC(C)=O)c2ccccc2F)cc1OC.
What is the InChIKey of N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide?
The InChIKey is RPXZJJYMVRSTEN-WFYKWJGLSA-N. The full InChI is InChI=1S/C32H32FNO7/c1-20(35)34-32(23-8-6-7-9-24(23)33)31(25(36)14-10-21-12-16-27(38-2)29(18-21)40-4)26(37)15-11-22-13-17-28(39-3)30(19-22)41-5/h6-19,31-32H,1-5H3,(H,34,35)/b14-10+,15-11+.
What are the key properties of N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide?
N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide has a molecular weight of 561.61 g/mol, XLogP of 5.22, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide is sourced from PubChem (CID 71535344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).