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

C13H20N2O3 — CID 39355922

IUPAC3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(OC)c(CN(C)C(=O)CCN)c1
InChIInChI=1S/C13H20N2O3/c1-15(13(16)6-7-14)9-10-8-11(17-2)4-5-12(10)18-3/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyRZDGQICEDNTFQV-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.01
Rot. Bonds6

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

3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 39355922) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
PubChem CID39355922
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(OC)c(CN(C)C(=O)CCN)c1
InChIInChI=1S/C13H20N2O3/c1-15(13(16)6-7-14)9-10-8-11(17-2)4-5-12(10)18-3/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyRZDGQICEDNTFQV-UHFFFAOYSA-N
XLogP1.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-3-sulfanylpropanamide
CID 115167920
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 115155352
3-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119301207
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 112790479
2-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806385
4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide
CID 116845076

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide (CID 39355922) is 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide is COc1ccc(OC)c(CN(C)C(=O)CCN)c1.
What is the InChIKey of 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is RZDGQICEDNTFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(13(16)6-7-14)9-10-8-11(17-2)4-5-12(10)18-3/h4-5,8H,6-7,9,14H2,1-3H3.
What are the key properties of 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide?
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 39355922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).