2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide

C15H22N2O2 — CID 60589490

IUPAC2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)Cc1ccc(OC)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-5-8-16-15(18)11-17(3)10-13-6-7-14(19-4)12(2)9-13/h5-7,9H,1,8,10-11H2,2-4H3,(H,16,18)
InChIKeyPERPDSQZFFFITB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.74
Rot. Bonds7

About 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide

2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide (PubChem CID 60589490) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide
PubChem CID60589490
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)Cc1ccc(OC)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-5-8-16-15(18)11-17(3)10-13-6-7-14(19-4)12(2)9-13/h5-7,9H,1,8,10-11H2,2-4H3,(H,16,18)
InChIKeyPERPDSQZFFFITB-UHFFFAOYSA-N
XLogP1.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide 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

2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 60589402
2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide
CID 78900344
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199383
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
3-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215695
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 60670069
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9058226
N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
CID 8844824
N-[3-(dimethylamino)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 95970771
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8908217

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide (CID 60589490) is 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(C)Cc1ccc(OC)c(C)c1.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide?
The InChIKey is PERPDSQZFFFITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-8-16-15(18)11-17(3)10-13-6-7-14(19-4)12(2)9-13/h5-7,9H,1,8,10-11H2,2-4H3,(H,16,18).
What are the key properties of 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide?
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 60589490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).