(Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide

C26H27N3O6 — CID 66893186

IUPAC(Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide
SMILESCOc1cc(CNCc2ccc(/C=C\C(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc(OC)c1OC
InChIInChI=1S/C26H27N3O6/c1-33-23-14-20(15-24(34-2)26(23)35-3)17-27-16-19-10-8-18(9-11-19)12-13-25(30)28-21-6-4-5-7-22(21)29(31)32/h4-15,27H,16-17H2,1-3H3,(H,28,30)/b13-12-
InChIKeyPRHGSTVTQAATGK-SEYXRHQNSA-N
MW477.52 g/mol
LogP4.56
Rot. Bonds11

About (Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide

(Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide (PubChem CID 66893186) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is (Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide
PubChem CID66893186
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Name(Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide
SMILESCOc1cc(CNCc2ccc(/C=C\C(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc(OC)c1OC
InChIInChI=1S/C26H27N3O6/c1-33-23-14-20(15-24(34-2)26(23)35-3)17-27-16-19-10-8-18(9-11-19)12-13-25(30)28-21-6-4-5-7-22(21)29(31)32/h4-15,27H,16-17H2,1-3H3,(H,28,30)/b13-12-
InChIKeyPRHGSTVTQAATGK-SEYXRHQNSA-N
XLogP4.56
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide 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

(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 51057586
(E)-3-(3,4-dimethoxy-5-nitrophenyl)-N-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359904
(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 5348458
(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360292
N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide
CID 66893989
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-(2-nitrophenyl)prop-2-enamide
CID 51057666
N-(2-amino-3-hydroxyphenyl)-3-[4-[(3,4,5-trimethoxyanilino)methyl]phenyl]prop-2-enamide
CID 66893475
N-(2-aminophenyl)-3-[4-[(3,4,5-trimethoxyphenoxy)methyl]phenyl]prop-2-enamide
CID 66893923
(E)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 135360114
(E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 135360031
N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 2931371
(E)-3-(3,4-dimethoxy-5-nitrophenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359833

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide (CID 66893186) is (Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide is COc1cc(CNCc2ccc(/C=C\C(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc(OC)c1OC.
What is the InChIKey of (Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide?
The InChIKey is PRHGSTVTQAATGK-SEYXRHQNSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-33-23-14-20(15-24(34-2)26(23)35-3)17-27-16-19-10-8-18(9-11-19)12-13-25(30)28-21-6-4-5-7-22(21)29(31)32/h4-15,27H,16-17H2,1-3H3,(H,28,30)/b13-12-.
What are the key properties of (Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide?
(Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide has a molecular weight of 477.52 g/mol, XLogP of 4.56, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-nitrophenyl)-3-[4-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 66893186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).