2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride

C15H25ClN2O4 — CID 120983852

IUPAC2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
SMILESCOCC(N)C(=O)N(C)Cc1cc(OC)c(OC)cc1C.Cl
InChIInChI=1S/C15H24N2O4.ClH/c1-10-6-13(20-4)14(21-5)7-11(10)8-17(2)15(18)12(16)9-19-3;/h6-7,12H,8-9,16H2,1-5H3;1H
InChIKeyBBUZIIHNANBEIE-UHFFFAOYSA-N
MW332.83 g/mol
LogP1.37
Rot. Bonds7

About 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride

2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride (PubChem CID 120983852) has the molecular formula C15H25ClN2O4 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
PubChem CID120983852
Molecular FormulaC15H25ClN2O4
Molecular Weight332.83 g/mol
Exact Mass332.15
IUPAC Name2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
SMILESCOCC(N)C(=O)N(C)Cc1cc(OC)c(OC)cc1C.Cl
InChIInChI=1S/C15H24N2O4.ClH/c1-10-6-13(20-4)14(21-5)7-11(10)8-17(2)15(18)12(16)9-19-3;/h6-7,12H,8-9,16H2,1-5H3;1H
InChIKeyBBUZIIHNANBEIE-UHFFFAOYSA-N
XLogP1.37
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559279
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
3-amino-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylurea
CID 115192794
2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115179983
2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983321
2-amino-N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62473589
(2S)-2-amino-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N,4-dimethylpentanamide
CID 119800637
3-amino-4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64896727
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194766
2-amino-3-methoxy-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 81080970
4-(difluoromethoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2,6-difluoro-N-methylbenzamide
CID 86975231
2-amino-3-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 120986832

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride (CID 120983852) is 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride is COCC(N)C(=O)N(C)Cc1cc(OC)c(OC)cc1C.Cl.
What is the InChIKey of 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
The InChIKey is BBUZIIHNANBEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4.ClH/c1-10-6-13(20-4)14(21-5)7-11(10)8-17(2)15(18)12(16)9-19-3;/h6-7,12H,8-9,16H2,1-5H3;1H.
What are the key properties of 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 120983852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).