2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide

C13H20N2O3 — CID 115151637

IUPAC2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
SMILESCOc1cc(C)c(CN(C)C(=O)CN)cc1OC
InChIInChI=1S/C13H20N2O3/c1-9-5-11(17-3)12(18-4)6-10(9)8-15(2)13(16)7-14/h5-6H,7-8,14H2,1-4H3
InChIKeyUONFXFFDTUSMBJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.93
Rot. Bonds5

About 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide

2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide (PubChem CID 115151637) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
PubChem CID115151637
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
SMILESCOc1cc(C)c(CN(C)C(=O)CN)cc1OC
InChIInChI=1S/C13H20N2O3/c1-9-5-11(17-3)12(18-4)6-10(9)8-15(2)13(16)7-14/h5-6H,7-8,14H2,1-4H3
InChIKeyUONFXFFDTUSMBJ-UHFFFAOYSA-N
XLogP0.93
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559279
3-amino-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylurea
CID 115192794
(3R)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4,4,4-trifluoro-3-hydroxy-N,3-dimethylbutanamide
CID 9084962
tert-butyl N-[3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-3-oxopropyl]carbamate
CID 9277344
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 9084976
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983852
tert-butyl N-[4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-4-oxobutyl]carbamate
CID 9277255
N-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbutanamide
CID 87039821
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809788
2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide
CID 115151633

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide (CID 115151637) is 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide is COc1cc(C)c(CN(C)C(=O)CN)cc1OC.
What is the InChIKey of 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide?
The InChIKey is UONFXFFDTUSMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-5-11(17-3)12(18-4)6-10(9)8-15(2)13(16)7-14/h5-6H,7-8,14H2,1-4H3.
What are the key properties of 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide?
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide has a molecular weight of 252.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 115151637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).