N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide

C12H15NO3 — CID 101065891

IUPACN-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C12H15NO3/c1-8(2)12(14)13-10-6-5-9(15-3)7-11(10)16-4/h5-7H,1H2,2-4H3,(H,13,14)
InChIKeyLCQLRKLRCISKAS-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.22
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide

N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide (PubChem CID 101065891) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
PubChem CID101065891
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C12H15NO3/c1-8(2)12(14)13-10-6-5-9(15-3)7-11(10)16-4/h5-7H,1H2,2-4H3,(H,13,14)
InChIKeyLCQLRKLRCISKAS-UHFFFAOYSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.22
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)-2-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-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide
CID 139950006
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139
N-(2,4-dimethoxyphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987426
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide
CID 108523939
N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
CID 889648
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
1-cyano-3-(2,4-dimethoxyphenyl)urea
CID 20559814
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea
CID 11988328
N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 19177842

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide (CID 101065891) is N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide?
The InChIKey is LCQLRKLRCISKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(2)12(14)13-10-6-5-9(15-3)7-11(10)16-4/h5-7H,1H2,2-4H3,(H,13,14).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide?
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide has a molecular weight of 221.26 g/mol, XLogP of 2.22, 4 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-methylprop-2-enamide is sourced from PubChem (CID 101065891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).