4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide

C21H24N2O7 — CID 54112532

IUPAC4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide
SMILESCOc1cc(NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)c(C(N)=O)cc1OC
InChIInChI=1S/C21H24N2O7/c1-26-15-10-13(21(22)25)14(11-16(15)27-2)23-19(24)7-6-12-8-17(28-3)20(30-5)18(9-12)29-4/h6-11H,1-5H3,(H2,22,25)(H,23,24)
InChIKeyNICJGQOYNKKFHS-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.48
Rot. Bonds9

About 4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide

4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide (PubChem CID 54112532) has the molecular formula C21H24N2O7 and a molecular weight of 416.43 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide
PubChem CID54112532
Molecular FormulaC21H24N2O7
Molecular Weight416.43 g/mol
Exact Mass416.16
IUPAC Name4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide
SMILESCOc1cc(NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)c(C(N)=O)cc1OC
InChIInChI=1S/C21H24N2O7/c1-26-15-10-13(21(22)25)14(11-16(15)27-2)23-19(24)7-6-12-8-17(28-3)20(30-5)18(9-12)29-4/h6-11H,1-5H3,(H2,22,25)(H,23,24)
InChIKeyNICJGQOYNKKFHS-UHFFFAOYSA-N
XLogP2.48
TPSA118.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 71741197
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-4,5-dimethoxybenzamide
CID 60602066
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
(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
(E)-3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359579
(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155816075
(E)-N-(2-acetylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8749614
(E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 135360201
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 2915510
(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 4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide?
The IUPAC name of 4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide (CID 54112532) is 4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide.
What is the SMILES notation for 4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide?
The canonical SMILES for 4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide is COc1cc(NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)c(C(N)=O)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide?
The InChIKey is NICJGQOYNKKFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7/c1-26-15-10-13(21(22)25)14(11-16(15)27-2)23-19(24)7-6-12-8-17(28-3)20(30-5)18(9-12)29-4/h6-11H,1-5H3,(H2,22,25)(H,23,24).
What are the key properties of 4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide?
4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide has a molecular weight of 416.43 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzamide is sourced from PubChem (CID 54112532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).