2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride

C16H27Cl2N3O2 — CID 120669272

IUPAC2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCN2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-13-3-5-14(6-4-13)15(17)16(20)18-7-2-8-19-9-11-21-12-10-19;;/h3-6,15H,2,7-12,17H2,1H3,(H,18,20);2*1H
InChIKeyXGCPFQLNHVWGBT-UHFFFAOYSA-N
MW364.32 g/mol
LogP1.68
Rot. Bonds6

About 2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride

2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride (PubChem CID 120669272) has the molecular formula C16H27Cl2N3O2 and a molecular weight of 364.32 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
PubChem CID120669272
Molecular FormulaC16H27Cl2N3O2
Molecular Weight364.32 g/mol
Exact Mass363.15
IUPAC Name2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCN2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-13-3-5-14(6-4-13)15(17)16(20)18-7-2-8-19-9-11-21-12-10-19;;/h3-6,15H,2,7-12,17H2,1H3,(H,18,20);2*1H
InChIKeyXGCPFQLNHVWGBT-UHFFFAOYSA-N
XLogP1.68
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 106151650
2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 106151736
2-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669818
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
2-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 120669819
2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide
CID 120668843
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646
2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668367
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 120669404

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride (CID 120669272) is 2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NCCCN2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride?
The InChIKey is XGCPFQLNHVWGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.2ClH/c1-13-3-5-14(6-4-13)15(17)16(20)18-7-2-8-19-9-11-21-12-10-19;;/h3-6,15H,2,7-12,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride?
2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride is sourced from PubChem (CID 120669272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).