(E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide

C24H28N2O6 — CID 127034192

IUPAC(E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C24H28N2O6/c1-29-19-9-5-17(21(15-19)31-3)7-11-23(27)25-13-14-26-24(28)12-8-18-6-10-20(30-2)16-22(18)32-4/h5-12,15-16H,13-14H2,1-4H3,(H,25,27)(H,26,28)/b11-7+,12-8+
InChIKeyZBZQIIDMOBLTPZ-MKICQXMISA-N
MW440.50 g/mol
LogP2.68
Rot. Bonds11

About (E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide

(E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide (PubChem CID 127034192) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
PubChem CID127034192
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C24H28N2O6/c1-29-19-9-5-17(21(15-19)31-3)7-11-23(27)25-13-14-26-24(28)12-8-18-6-10-20(30-2)16-22(18)32-4/h5-12,15-16H,13-14H2,1-4H3,(H,25,27)(H,26,28)/b11-7+,12-8+
InChIKeyZBZQIIDMOBLTPZ-MKICQXMISA-N
XLogP2.68
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-Allyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1b)
CID 6444575
(E)-N-Butyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1c)
CID 6366207
2-cyano-N-cyclopropyl-3-(2,4-diethoxyphenyl)acrylamide
CID 1235950
4-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]piperazin-2-one
CID 2542254
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4882752
(E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212341
(E)-N-(3,4-dimethoxyphenethyl)-3-(3,4,5-trimethoxyphenyl)acrylamide
CID 2331658
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide
CID 71495988
Cinpropazide
CID 6436042
3-Carboxamido coumarin, 43
CID 42618009
(E)-N-(4-phenylbutan-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 5734064
7-methoxy-N-[4-[(7-methoxy-2-oxochromene-3-carbonyl)amino]butyl]-2-oxochromene-3-carboxamide
CID 44414255

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide (CID 127034192) is (E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
The InChIKey is ZBZQIIDMOBLTPZ-MKICQXMISA-N. The full InChI is InChI=1S/C24H28N2O6/c1-29-19-9-5-17(21(15-19)31-3)7-11-23(27)25-13-14-26-24(28)12-8-18-6-10-20(30-2)16-22(18)32-4/h5-12,15-16H,13-14H2,1-4H3,(H,25,27)(H,26,28)/b11-7+,12-8+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
(E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide has a molecular weight of 440.50 g/mol, XLogP of 2.68, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxyphenyl)-N-[2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 127034192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).