N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide

C21H25NO7 — CID 78566887

IUPACN,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C21H25NO7/c1-24-15-9-13(10-16(25-2)20(15)28-5)7-8-19(23)22-14-11-17(26-3)21(29-6)18(12-14)27-4/h7-12H,1-6H3,(H,22,23)
InChIKeyNZMRVDXQFIOOFT-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.39
Rot. Bonds9

About N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide

N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 78566887) has the molecular formula C21H25NO7 and a molecular weight of 403.43 g/mol. Its IUPAC name is N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID78566887
Molecular FormulaC21H25NO7
Molecular Weight403.43 g/mol
Exact Mass403.16
IUPAC NameN,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C21H25NO7/c1-24-15-9-13(10-16(25-2)20(15)28-5)7-8-19(23)22-14-11-17(26-3)21(29-6)18(12-14)27-4/h7-12H,1-6H3,(H,22,23)
InChIKeyNZMRVDXQFIOOFT-UHFFFAOYSA-N
XLogP3.39
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26703055
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4549362
(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807639
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377
N-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3338109
N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78569110
[4-[(E)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-enyl]phenyl] acetate
CID 90670908
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
methyl 3-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzoate
CID 3338274
3-phenyl-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359677

Frequently Asked Questions

What is the IUPAC name of N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 78566887) is N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is NZMRVDXQFIOOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO7/c1-24-15-9-13(10-16(25-2)20(15)28-5)7-8-19(23)22-14-11-17(26-3)21(29-6)18(12-14)27-4/h7-12H,1-6H3,(H,22,23).
What are the key properties of N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide?
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 403.43 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 78566887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).