(4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide

C12H16N2O — CID 117043360

IUPAC(4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide
SMILESCOc1ccc(CN(C)C#N)c(C)c1C
InChIInChI=1S/C12H16N2O/c1-9-10(2)12(15-4)6-5-11(9)7-14(3)8-13/h5-6H,7H2,1-4H3
InChIKeyNSYPTGKKMMVWDM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.22
Rot. Bonds3

About (4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide

(4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide (PubChem CID 117043360) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide.

Molecular Properties

Compound Name(4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide
PubChem CID117043360
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide
SMILESCOc1ccc(CN(C)C#N)c(C)c1C
InChIInChI=1S/C12H16N2O/c1-9-10(2)12(15-4)6-5-11(9)7-14(3)8-13/h5-6H,7H2,1-4H3
InChIKeyNSYPTGKKMMVWDM-UHFFFAOYSA-N
XLogP2.22
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze (4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide 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-2,3-dimethylphenyl)ethyl-methylcyanamide
CID 117043513
2-(2,4-dimethoxy-3-methylphenyl)ethyl-methylcyanamide
CID 117043515
3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propanenitrile
CID 115230987
(2,5-dimethoxy-4-methylphenyl)methyl-methylcyanamide
CID 117043361
(5-tert-butyl-2-methoxyphenyl)methyl-methylcyanamide
CID 117043311
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
CID 115191161
4-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]butan-2-one
CID 115235817
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 71002758
3-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119860
(2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide
CID 117043406
2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutanenitrile
CID 116931708
1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 115121516

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide?
The IUPAC name of (4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide (CID 117043360) is (4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide.
What is the SMILES notation for (4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide?
The canonical SMILES for (4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide is COc1ccc(CN(C)C#N)c(C)c1C.
What is the InChIKey of (4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide?
The InChIKey is NSYPTGKKMMVWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-10(2)12(15-4)6-5-11(9)7-14(3)8-13/h5-6H,7H2,1-4H3.
What are the key properties of (4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide?
(4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide has a molecular weight of 204.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide is sourced from PubChem (CID 117043360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).