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

C14H25Cl2N3O3 — CID 119858648

IUPAC2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride
SMILESCOc1cc(CNC(=O)CN)ccc1OCCN(C)C.Cl.Cl
InChIInChI=1S/C14H23N3O3.2ClH/c1-17(2)6-7-20-12-5-4-11(8-13(12)19-3)10-16-14(18)9-15;;/h4-5,8H,6-7,9-10,15H2,1-3H3,(H,16,18);2*1H
InChIKeyKGGKTJURYIEIGJ-UHFFFAOYSA-N
MW354.28 g/mol
LogP1.05
Rot. Bonds8

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

2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride (PubChem CID 119858648) has the molecular formula C14H25Cl2N3O3 and a molecular weight of 354.28 g/mol. Its IUPAC name is 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride
PubChem CID119858648
Molecular FormulaC14H25Cl2N3O3
Molecular Weight354.28 g/mol
Exact Mass353.13
IUPAC Name2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride
SMILESCOc1cc(CNC(=O)CN)ccc1OCCN(C)C.Cl.Cl
InChIInChI=1S/C14H23N3O3.2ClH/c1-17(2)6-7-20-12-5-4-11(8-13(12)19-3)10-16-14(18)9-15;;/h4-5,8H,6-7,9-10,15H2,1-3H3,(H,16,18);2*1H
InChIKeyKGGKTJURYIEIGJ-UHFFFAOYSA-N
XLogP1.05
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119858622
(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
2-cyano-N-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl]acetamide
CID 22683884
5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide
CID 120644583
3-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119858619
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 170884590
methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 18783983
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
N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride (CID 119858648) is 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride is COc1cc(CNC(=O)CN)ccc1OCCN(C)C.Cl.Cl.
What is the InChIKey of 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride?
The InChIKey is KGGKTJURYIEIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3.2ClH/c1-17(2)6-7-20-12-5-4-11(8-13(12)19-3)10-16-14(18)9-15;;/h4-5,8H,6-7,9-10,15H2,1-3H3,(H,16,18);2*1H.
What are the key properties of 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride?
2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride has a molecular weight of 354.28 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119858648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).