2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride

C15H27Cl2N3O2 — CID 119855399

IUPAC2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride
SMILESCOCCN(C)CCCNC(=O)Cc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C15H25N3O2.2ClH/c1-18(10-11-20-2)9-3-8-17-15(19)12-13-4-6-14(16)7-5-13;;/h4-7H,3,8-12,16H2,1-2H3,(H,17,19);2*1H
InChIKeyQKGRMVLLKMDOMG-UHFFFAOYSA-N
MW352.31 g/mol
LogP1.74
Rot. Bonds9

About 2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride

2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride (PubChem CID 119855399) has the molecular formula C15H27Cl2N3O2 and a molecular weight of 352.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride
PubChem CID119855399
Molecular FormulaC15H27Cl2N3O2
Molecular Weight352.31 g/mol
Exact Mass351.15
IUPAC Name2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride
SMILESCOCCN(C)CCCNC(=O)Cc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C15H25N3O2.2ClH/c1-18(10-11-20-2)9-3-8-17-15(19)12-13-4-6-14(16)7-5-13;;/h4-7H,3,8-12,16H2,1-2H3,(H,17,19);2*1H
InChIKeyQKGRMVLLKMDOMG-UHFFFAOYSA-N
XLogP1.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119855427
2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
CID 63611510
methyl 4-[[2-(4-aminophenyl)acetyl]amino]butanoate
CID 61274710
methyl 7-[[2-(4-aminophenyl)acetyl]amino]heptanoate;hydrochloride
CID 119701299
2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 105351790
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
2-(4-aminophenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylpropanamide
CID 80555464
tert-butyl N-[3-[[2-(4-aminophenyl)acetyl]amino]propyl]carbamate
CID 104932589
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride (CID 119855399) is 2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride is COCCN(C)CCCNC(=O)Cc1ccc(N)cc1.Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride?
The InChIKey is QKGRMVLLKMDOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.2ClH/c1-18(10-11-20-2)9-3-8-17-15(19)12-13-4-6-14(16)7-5-13;;/h4-7H,3,8-12,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride?
2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride has a molecular weight of 352.31 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride is sourced from PubChem (CID 119855399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).