2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride

C18H28Cl2N4O2 — CID 119855845

IUPAC2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1.Cl.Cl
InChIInChI=1S/C18H26N4O2.2ClH/c1-14(2)18-20-7-9-22(18)13-15-5-4-6-16(11-15)21-17(23)12-19-8-10-24-3;;/h4-7,9,11,14,19H,8,10,12-13H2,1-3H3,(H,21,23);2*1H
InChIKeyALFMXIYZZNVRJV-UHFFFAOYSA-N
MW403.35 g/mol
LogP3.07
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride

2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride (PubChem CID 119855845) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
PubChem CID119855845
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC Name2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1.Cl.Cl
InChIInChI=1S/C18H26N4O2.2ClH/c1-14(2)18-20-7-9-22(18)13-15-5-4-6-16(11-15)21-17(23)12-19-8-10-24-3;;/h4-7,9,11,14,19H,8,10,12-13H2,1-3H3,(H,21,23);2*1H
InChIKeyALFMXIYZZNVRJV-UHFFFAOYSA-N
XLogP3.07
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 119855817
2-cyclopentyloxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 47059184
2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 111430663
3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
CID 55858307
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 55967727
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride
CID 119717862
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 55858949
2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide
CID 55857928
(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
CID 119855852

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride (CID 119855845) is 2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride is COCCNCC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride?
The InChIKey is ALFMXIYZZNVRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.2ClH/c1-14(2)18-20-7-9-22(18)13-15-5-4-6-16(11-15)21-17(23)12-19-8-10-24-3;;/h4-7,9,11,14,19H,8,10,12-13H2,1-3H3,(H,21,23);2*1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride?
2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride has a molecular weight of 403.35 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119855845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).