2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide

C14H20N2O2 — CID 117043597

IUPAC2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide
SMILESCOc1cc(CCN(C)C#N)c(OC)c(C)c1C
InChIInChI=1S/C14H20N2O2/c1-10-11(2)14(18-5)12(8-13(10)17-4)6-7-16(3)9-15/h8H,6-7H2,1-5H3
InChIKeyDJVGMDFQYDFZSD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.28
Rot. Bonds5

About 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide

2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide (PubChem CID 117043597) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide
PubChem CID117043597
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide
SMILESCOc1cc(CCN(C)C#N)c(OC)c(C)c1C
InChIInChI=1S/C14H20N2O2/c1-10-11(2)14(18-5)12(8-13(10)17-4)6-7-16(3)9-15/h8H,6-7H2,1-5H3
InChIKeyDJVGMDFQYDFZSD-UHFFFAOYSA-N
XLogP2.28
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethoxy-3-methylphenyl)ethyl-methylcyanamide
CID 117043515
2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylcyanamide
CID 117043513
2-(3,5-dichloro-2-methoxyphenyl)ethyl-methylcyanamide
CID 117043509
1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168734
2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylcyanamide
CID 117043560
2-(2,5-dimethoxyphenyl)ethyl-methylcyanamide
CID 117043452
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
(2,5-dimethoxy-4-methylphenyl)methyl-methylcyanamide
CID 117043361
2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide
CID 117043469
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714
(4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide
CID 117043360
3-[2-(2-methoxy-4,5-dimethylphenyl)ethyl-methylamino]propanenitrile
CID 115231209

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide?
The IUPAC name of 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide (CID 117043597) is 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide.
What is the SMILES notation for 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide?
The canonical SMILES for 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide is COc1cc(CCN(C)C#N)c(OC)c(C)c1C.
What is the InChIKey of 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide?
The InChIKey is DJVGMDFQYDFZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-11(2)14(18-5)12(8-13(10)17-4)6-7-16(3)9-15/h8H,6-7H2,1-5H3.
What are the key properties of 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide?
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide has a molecular weight of 248.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide is sourced from PubChem (CID 117043597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).