N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide

C21H25NO3 — CID 4093038

IUPACN-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccc(CC(C)C)cc2)c(OC)c1
InChIInChI=1S/C21H25NO3/c1-15(2)13-17-7-5-16(6-8-17)9-12-21(23)22-19-11-10-18(24-3)14-20(19)25-4/h5-12,14-15H,13H2,1-4H3,(H,22,23)
InChIKeyRSUKGYDZAGBMNM-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.55
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide

N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide (PubChem CID 4093038) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
PubChem CID4093038
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccc(CC(C)C)cc2)c(OC)c1
InChIInChI=1S/C21H25NO3/c1-15(2)13-17-7-5-16(6-8-17)9-12-21(23)22-19-11-10-18(24-3)14-20(19)25-4/h5-12,14-15H,13H2,1-4H3,(H,22,23)
InChIKeyRSUKGYDZAGBMNM-UHFFFAOYSA-N
XLogP4.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 680257
(E)-N-(2,4-dimethoxyphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 18272734
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 26734981
(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 17393859
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
(E)-N-(2,4-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552012
N-[2-methoxy-4-[3-methoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 4200270
(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501086
N-(2,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4015229
(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2268412
(E)-3-(4-fluorophenyl)-N-[4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6108914

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide (CID 4093038) is N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide is COc1ccc(NC(=O)C=Cc2ccc(CC(C)C)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The InChIKey is RSUKGYDZAGBMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-15(2)13-17-7-5-16(6-8-17)9-12-21(23)22-19-11-10-18(24-3)14-20(19)25-4/h5-12,14-15H,13H2,1-4H3,(H,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide has a molecular weight of 339.44 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide is sourced from PubChem (CID 4093038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).