N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride

C15H27Cl2N3O3 — CID 119858622

IUPACN-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride
SMILESCNCC(=O)NCc1ccc(OCCN(C)C)c(OC)c1.Cl.Cl
InChIInChI=1S/C15H25N3O3.2ClH/c1-16-11-15(19)17-10-12-5-6-13(14(9-12)20-4)21-8-7-18(2)3;;/h5-6,9,16H,7-8,10-11H2,1-4H3,(H,17,19);2*1H
InChIKeyRITVVOOAMSOFGF-UHFFFAOYSA-N
MW368.31 g/mol
LogP1.31
Rot. Bonds9

About N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride

N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride (PubChem CID 119858622) has the molecular formula C15H27Cl2N3O3 and a molecular weight of 368.31 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride
PubChem CID119858622
Molecular FormulaC15H27Cl2N3O3
Molecular Weight368.31 g/mol
Exact Mass367.14
IUPAC NameN-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride
SMILESCNCC(=O)NCc1ccc(OCCN(C)C)c(OC)c1.Cl.Cl
InChIInChI=1S/C15H25N3O3.2ClH/c1-16-11-15(19)17-10-12-5-6-13(14(9-12)20-4)21-8-7-18(2)3;;/h5-6,9,16H,7-8,10-11H2,1-4H3,(H,17,19);2*1H
InChIKeyRITVVOOAMSOFGF-UHFFFAOYSA-N
XLogP1.31
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride
CID 119858648
2-cyano-N-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl]acetamide
CID 22683884
(2S)-2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-methylbutanamide
CID 119858639
2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride
CID 119858674
5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide
CID 120644583
methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 18783983
methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
CID 119726463
3-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119858619
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587
4-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20992977
methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 170884590
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride?
The IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride (CID 119858622) is N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride is CNCC(=O)NCc1ccc(OCCN(C)C)c(OC)c1.Cl.Cl.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride?
The InChIKey is RITVVOOAMSOFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3.2ClH/c1-16-11-15(19)17-10-12-5-6-13(14(9-12)20-4)21-8-7-18(2)3;;/h5-6,9,16H,7-8,10-11H2,1-4H3,(H,17,19);2*1H.
What are the key properties of N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride?
N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride has a molecular weight of 368.31 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119858622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).