(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide

C28H28N2O8 — CID 135359460

IUPAC(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2c(C=Cc3cc(OC)c(OC)c(OC)c3)cccc2OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C28H28N2O8/c1-34-22-8-6-7-20(12-9-19-16-24(36-3)28(38-5)25(17-19)37-4)27(22)29-26(31)14-11-18-10-13-21(30(32)33)23(15-18)35-2/h6-17H,1-5H3,(H,29,31)/b12-9?,14-11+
InChIKeyCHXNVPBDRNVSKZ-PZZCJJMLSA-N
MW520.54 g/mol
LogP5.46
Rot. Bonds11

About (E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide

(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (PubChem CID 135359460) has the molecular formula C28H28N2O8 and a molecular weight of 520.54 g/mol. Its IUPAC name is (E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
PubChem CID135359460
Molecular FormulaC28H28N2O8
Molecular Weight520.54 g/mol
Exact Mass520.18
IUPAC Name(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2c(C=Cc3cc(OC)c(OC)c(OC)c3)cccc2OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C28H28N2O8/c1-34-22-8-6-7-20(12-9-19-16-24(36-3)28(38-5)25(17-19)37-4)27(22)29-26(31)14-11-18-10-13-21(30(32)33)23(15-18)35-2/h6-17H,1-5H3,(H,29,31)/b12-9?,14-11+
InChIKeyCHXNVPBDRNVSKZ-PZZCJJMLSA-N
XLogP5.46
TPSA118.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.54
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

(E)-3-(3-hydroxyphenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359576
(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359871
(E)-3-(4-aminophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359949
(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360292
(E)-3-(3,4-dimethoxy-5-nitrophenyl)-N-[2,3-dimethoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359916
(E)-3-(3,4-dimethoxy-5-nitrophenyl)-N-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359904
(E)-N-[3-hydroxy-2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 135359987
(E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 135360314
(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-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359613
(E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 135360031
(E)-3-(3,4-dihydroxyphenyl)-N-[3-hydroxy-2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359872

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (CID 135359460) is (E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is COc1cc(/C=C/C(=O)Nc2c(C=Cc3cc(OC)c(OC)c(OC)c3)cccc2OC)ccc1[N+](=O)[O-].
What is the InChIKey of (E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The InChIKey is CHXNVPBDRNVSKZ-PZZCJJMLSA-N. The full InChI is InChI=1S/C28H28N2O8/c1-34-22-8-6-7-20(12-9-19-16-24(36-3)28(38-5)25(17-19)37-4)27(22)29-26(31)14-11-18-10-13-21(30(32)33)23(15-18)35-2/h6-17H,1-5H3,(H,29,31)/b12-9?,14-11+.
What are the key properties of (E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide has a molecular weight of 520.54 g/mol, XLogP of 5.46, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 135359460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).