N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide

C19H21NO3 — CID 5037434

IUPACN-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1cccc(OC)c1C=CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c1-20(14-15-8-5-4-6-9-15)19(21)13-12-16-17(22-2)10-7-11-18(16)23-3/h4-13H,14H2,1-3H3
InChIKeyVJKONJUEIYYYLY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.38
Rot. Bonds6

About N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide

N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide (PubChem CID 5037434) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide
PubChem CID5037434
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1cccc(OC)c1C=CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c1-20(14-15-8-5-4-6-9-15)19(21)13-12-16-17(22-2)10-7-11-18(16)23-3/h4-13H,14H2,1-3H3
InChIKeyVJKONJUEIYYYLY-UHFFFAOYSA-N
XLogP3.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-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-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
N-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551
N-benzyl-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methylprop-2-enamide
CID 78774345
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 134059120
(E)-N-benzyl-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-methylprop-2-enamide
CID 26534654
N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 78774303
(E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide
CID 110498603
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9482673
3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-N-methylprop-2-enamide
CID 55875195
N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 713006
3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
CID 53403961
(Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
CID 96869545

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide (CID 5037434) is N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide is COc1cccc(OC)c1C=CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is VJKONJUEIYYYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-20(14-15-8-5-4-6-9-15)19(21)13-12-16-17(22-2)10-7-11-18(16)23-3/h4-13H,14H2,1-3H3.
What are the key properties of N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide?
N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 5037434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).