N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide

C18H19NO2 — CID 4672170

IUPACN-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
SMILESCOc1ccccc1CNC(=O)C(C)=Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(12-15-8-4-3-5-9-15)18(20)19-13-16-10-6-7-11-17(16)21-2/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyDIRXRFRMBYCUQK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.41
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide

N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide (PubChem CID 4672170) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
PubChem CID4672170
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
SMILESCOc1ccccc1CNC(=O)C(C)=Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(12-15-8-4-3-5-9-15)18(20)19-13-16-10-6-7-11-17(16)21-2/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyDIRXRFRMBYCUQK-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-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

(Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide
CID 47025986
(E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide
CID 110298638
(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 110298595
(Z)-4-[(2-methoxyphenyl)methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63266732
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2624075
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
(Z)-4-[(2-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid
CID 45100336
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N'-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 7541451
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 43316152

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide (CID 4672170) is N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide is COc1ccccc1CNC(=O)C(C)=Cc1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide?
The InChIKey is DIRXRFRMBYCUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14(12-15-8-4-3-5-9-15)18(20)19-13-16-10-6-7-11-17(16)21-2/h3-12H,13H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide?
N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 4672170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).