(E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide

C29H32N2O8 — CID 135359847

IUPAC(E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cc(/C=C/c3cc(OC)c(OC)c(OC)c3)cc(O)c2OC)cc(N)c1OC
InChIInChI=1S/C29H32N2O8/c1-34-23-14-17(11-20(30)27(23)37-4)9-10-26(33)31-21-12-18(13-22(32)28(21)38-5)7-8-19-15-24(35-2)29(39-6)25(16-19)36-3/h7-16,32H,30H2,1-6H3,(H,31,33)/b8-7+,10-9+
InChIKeyGXVNMJQWUYBXRN-XBLVEGMJSA-N
MW536.58 g/mol
LogP4.85
Rot. Bonds11

About (E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide

(E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (PubChem CID 135359847) has the molecular formula C29H32N2O8 and a molecular weight of 536.58 g/mol. Its IUPAC name is (E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
PubChem CID135359847
Molecular FormulaC29H32N2O8
Molecular Weight536.58 g/mol
Exact Mass536.22
IUPAC Name(E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cc(/C=C/c3cc(OC)c(OC)c(OC)c3)cc(O)c2OC)cc(N)c1OC
InChIInChI=1S/C29H32N2O8/c1-34-23-14-17(11-20(30)27(23)37-4)9-10-26(33)31-21-12-18(13-22(32)28(21)38-5)7-8-19-15-24(35-2)29(39-6)25(16-19)36-3/h7-16,32H,30H2,1-6H3,(H,31,33)/b8-7+,10-9+
InChIKeyGXVNMJQWUYBXRN-XBLVEGMJSA-N
XLogP4.85
TPSA130.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.58
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(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
(E)-3-(3,4-difluorophenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359793
(E)-3-(3-amino-4-methoxyphenyl)-N-[2-hydroxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359428
(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155816075
(E)-3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359579
(E)-3-(3,4-dihydroxyphenyl)-N-[2-hydroxy-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359982
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359992
(E)-3-(2-aminophenyl)-N-[2-hydroxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197471
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468
4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide
CID 54112532
(E)-3-(2-aminophenyl)-N-[2-hydroxy-3-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360111
(E)-3-(4-aminophenyl)-N-[2-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359857

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (CID 135359847) is (E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cc(/C=C/c3cc(OC)c(OC)c(OC)c3)cc(O)c2OC)cc(N)c1OC.
What is the InChIKey of (E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The InChIKey is GXVNMJQWUYBXRN-XBLVEGMJSA-N. The full InChI is InChI=1S/C29H32N2O8/c1-34-23-14-17(11-20(30)27(23)37-4)9-10-26(33)31-21-12-18(13-22(32)28(21)38-5)7-8-19-15-24(35-2)29(39-6)25(16-19)36-3/h7-16,32H,30H2,1-6H3,(H,31,33)/b8-7+,10-9+.
What are the key properties of (E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
(E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide has a molecular weight of 536.58 g/mol, XLogP of 4.85, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-amino-4,5-dimethoxyphenyl)-N-[3-hydroxy-2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 135359847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).