2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride

C18H33Cl2N3O — CID 120669868

IUPAC2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCCCN(CCC)CCCNC(=O)C(N)c1ccc(C)cc1.Cl.Cl
InChIInChI=1S/C18H31N3O.2ClH/c1-4-12-21(13-5-2)14-6-11-20-18(22)17(19)16-9-7-15(3)8-10-16;;/h7-10,17H,4-6,11-14,19H2,1-3H3,(H,20,22);2*1H
InChIKeyCWUUNGDYXIHWEX-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.47
Rot. Bonds10

About 2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride

2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride (PubChem CID 120669868) has the molecular formula C18H33Cl2N3O and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
PubChem CID120669868
Molecular FormulaC18H33Cl2N3O
Molecular Weight378.39 g/mol
Exact Mass377.20
IUPAC Name2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCCCN(CCC)CCCNC(=O)C(N)c1ccc(C)cc1.Cl.Cl
InChIInChI=1S/C18H31N3O.2ClH/c1-4-12-21(13-5-2)14-6-11-20-18(22)17(19)16-9-7-15(3)8-10-16;;/h7-10,17H,4-6,11-14,19H2,1-3H3,(H,20,22);2*1H
InChIKeyCWUUNGDYXIHWEX-UHFFFAOYSA-N
XLogP3.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-2-(4-methylphenyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide;dihydrochloride
CID 120669782
2-amino-2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 120666753
2-amino-N-(3-anilinopropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669990
2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
CID 106312957
2-amino-2-(4-methylphenyl)-N-(5-methylsulfanylpentyl)acetamide
CID 106312958
ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
CID 120667027
2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide
CID 106312753
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(4-methylphenyl)acetamide
CID 106313007
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
CID 106151202
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 120666814
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride (CID 120669868) is 2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride is CCCN(CCC)CCCNC(=O)C(N)c1ccc(C)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The InChIKey is CWUUNGDYXIHWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O.2ClH/c1-4-12-21(13-5-2)14-6-11-20-18(22)17(19)16-9-7-15(3)8-10-16;;/h7-10,17H,4-6,11-14,19H2,1-3H3,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride has a molecular weight of 378.39 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120669868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).