N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide

C18H19NO3 — CID 889648

IUPACN-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)C(C)=Cc2ccccc2)c(OC)c1
InChIInChI=1S/C18H19NO3/c1-13(11-14-7-5-4-6-8-14)18(20)19-16-10-9-15(21-2)12-17(16)22-3/h4-12H,1-3H3,(H,19,20)
InChIKeyPTWSNVMFBOZUDN-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.75
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide

N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide (PubChem CID 889648) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
PubChem CID889648
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)C(C)=Cc2ccccc2)c(OC)c1
InChIInChI=1S/C18H19NO3/c1-13(11-14-7-5-4-6-8-14)18(20)19-16-10-9-15(21-2)12-17(16)22-3/h4-12H,1-3H3,(H,19,20)
InChIKeyPTWSNVMFBOZUDN-UHFFFAOYSA-N
XLogP3.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1192033
(E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 19169431
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide
CID 44998153
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 890141
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139
methyl 2-[(2-methyl-3-phenylprop-2-enoyl)amino]benzoate
CID 890488
(Z)-N-(2-methoxy-4-methylphenyl)-2,3-diphenylprop-2-enamide
CID 6140104
2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
CID 11414530
(E)-3-(4-acetamido-3-methoxyphenyl)-2-methylprop-2-enoic acid
CID 70408340
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide (CID 889648) is N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide is COc1ccc(NC(=O)C(C)=Cc2ccccc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide?
The InChIKey is PTWSNVMFBOZUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(11-14-7-5-4-6-8-14)18(20)19-16-10-9-15(21-2)12-17(16)22-3/h4-12H,1-3H3,(H,19,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide?
N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide has a molecular weight of 297.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 889648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).