2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride

C16H27Cl2N3O — CID 120670120

IUPAC2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCC(C)N(C)C2CC2)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-11-4-6-13(7-5-11)15(17)16(20)18-10-12(2)19(3)14-8-9-14;;/h4-7,12,14-15H,8-10,17H2,1-3H3,(H,18,20);2*1H
InChIKeyMFYAYRFJBDJPDP-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.44
Rot. Bonds6

About 2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride

2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride (PubChem CID 120670120) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
PubChem CID120670120
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCC(C)N(C)C2CC2)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-11-4-6-13(7-5-11)15(17)16(20)18-10-12(2)19(3)14-8-9-14;;/h4-7,12,14-15H,8-10,17H2,1-3H3,(H,18,20);2*1H
InChIKeyMFYAYRFJBDJPDP-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide
CID 106312263
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581
2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 114172133
2-amino-N-[2-(4-methylphenoxy)propyl]-2-(4-methylphenyl)acetamide
CID 120667389
(2R)-2-amino-N-[2-(dimethylamino)propyl]-2-phenylacetamide
CID 61156707
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669329
ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
CID 120667027
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-(1-cyclohexylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667022
2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669868
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666652

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride (CID 120670120) is 2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NCC(C)N(C)C2CC2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The InChIKey is MFYAYRFJBDJPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-11-4-6-13(7-5-11)15(17)16(20)18-10-12(2)19(3)14-8-9-14;;/h4-7,12,14-15H,8-10,17H2,1-3H3,(H,18,20);2*1H.
What are the key properties of 2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120670120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).