3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride

C15H27Cl2N3O — CID 119861809

IUPAC3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
SMILESCC(C(=O)NCC(C)N(C)C)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-11(18(3)4)10-17-15(19)12(2)14(16)13-8-6-5-7-9-13;;/h5-9,11-12,14H,10,16H2,1-4H3,(H,17,19);2*1H
InChIKeyPKXXYRFJVCHIOO-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.23
Rot. Bonds6

About 3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride

3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride (PubChem CID 119861809) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
PubChem CID119861809
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC Name3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
SMILESCC(C(=O)NCC(C)N(C)C)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-11(18(3)4)10-17-15(19)12(2)14(16)13-8-6-5-7-9-13;;/h5-9,11-12,14H,10,16H2,1-4H3,(H,17,19);2*1H
InChIKeyPKXXYRFJVCHIOO-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119706690
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3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
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3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
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5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid
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CID 119725929
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
3-amino-2-methyl-N-(2-methyl-2-phenylpropyl)-3-phenylpropanamide
CID 119724309
3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride
CID 119877886
3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119804636
3-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)-3-phenylpropanamide;hydrochloride
CID 119750650
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CID 80551795

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride (CID 119861809) is 3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride is CC(C(=O)NCC(C)N(C)C)C(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The InChIKey is PKXXYRFJVCHIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-11(18(3)4)10-17-15(19)12(2)14(16)13-8-6-5-7-9-13;;/h5-9,11-12,14H,10,16H2,1-4H3,(H,17,19);2*1H.
What are the key properties of 3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119861809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).