3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide

C14H22N2O2 — CID 115153589

IUPAC3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide
SMILESCOc1cc(C)cc(C)c1N(C)C(=O)C(C)CN
InChIInChI=1S/C14H22N2O2/c1-9-6-10(2)13(12(7-9)18-5)16(4)14(17)11(3)8-15/h6-7,11H,8,15H2,1-5H3
InChIKeyWOTMTPDWVSOOAW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds4

About 3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide

3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide (PubChem CID 115153589) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide
PubChem CID115153589
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide
SMILESCOc1cc(C)cc(C)c1N(C)C(=O)C(C)CN
InChIInChI=1S/C14H22N2O2/c1-9-6-10(2)13(12(7-9)18-5)16(4)14(17)11(3)8-15/h6-7,11H,8,15H2,1-5H3
InChIKeyWOTMTPDWVSOOAW-UHFFFAOYSA-N
XLogP1.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide
CID 115180432
(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid
CID 115170774
N-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-(methylamino)acetamide
CID 82496838
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959
4-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylbutanamide
CID 115162917
3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide
CID 115153548
1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199192
4-amino-N,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
CID 115156292
3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115153746
3-amino-N,2-dimethyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115153583
N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline
CID 115261763
2-amino-3-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylpropanamide
CID 115179793

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide (CID 115153589) is 3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide is COc1cc(C)cc(C)c1N(C)C(=O)C(C)CN.
What is the InChIKey of 3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide?
The InChIKey is WOTMTPDWVSOOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-6-10(2)13(12(7-9)18-5)16(4)14(17)11(3)8-15/h6-7,11H,8,15H2,1-5H3.
What are the key properties of 3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide?
3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 115153589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).