N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

C19H21NO5 — CID 732460

IUPACN-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-22-14-7-8-15(17(12-14)24-3)20-19(21)10-6-13-5-9-16(23-2)18(11-13)25-4/h5-12H,1-4H3,(H,20,21)
InChIKeyJNPPSMDZRHXLAO-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.37
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 732460) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID732460
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-22-14-7-8-15(17(12-14)24-3)20-19(21)10-6-13-5-9-16(23-2)18(11-13)25-4/h5-12H,1-4H3,(H,20,21)
InChIKeyJNPPSMDZRHXLAO-UHFFFAOYSA-N
XLogP3.37
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 17393859
(E)-N-(2,4-dimethoxyphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 18272734
N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 680257
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 4093038
N-(2-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 103598924
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 26734981
N-(2,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4015229
(E)-N-(2,4-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552012
(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2268412
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 732460) is N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)C=Cc2ccc(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is JNPPSMDZRHXLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-22-14-7-8-15(17(12-14)24-3)20-19(21)10-6-13-5-9-16(23-2)18(11-13)25-4/h5-12H,1-4H3,(H,20,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 343.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 732460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).