3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide

C14H22N2O2 — CID 115152925

IUPAC3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide
SMILESCOc1c(C)cc(C)cc1CN(C)C(=O)CCN
InChIInChI=1S/C14H22N2O2/c1-10-7-11(2)14(18-4)12(8-10)9-16(3)13(17)5-6-15/h7-8H,5-6,9,15H2,1-4H3
InChIKeyJZPLQIIIMOFKFZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.62
Rot. Bonds5

About 3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide

3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide (PubChem CID 115152925) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide
PubChem CID115152925
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide
SMILESCOc1c(C)cc(C)cc1CN(C)C(=O)CCN
InChIInChI=1S/C14H22N2O2/c1-10-7-11(2)14(18-4)12(8-10)9-16(3)13(17)5-6-15/h7-8H,5-6,9,15H2,1-4H3
InChIKeyJZPLQIIIMOFKFZ-UHFFFAOYSA-N
XLogP1.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide
CID 115155361
1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115168389
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151967
methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
CID 115190641
2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide
CID 115151633
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194099
1-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115137018
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115259441

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide (CID 115152925) is 3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide is COc1c(C)cc(C)cc1CN(C)C(=O)CCN.
What is the InChIKey of 3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide?
The InChIKey is JZPLQIIIMOFKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-11(2)14(18-4)12(8-10)9-16(3)13(17)5-6-15/h7-8H,5-6,9,15H2,1-4H3.
What are the key properties of 3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide?
3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.62, 5 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-3,5-dimethylphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 115152925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).