3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride

C17H31Cl2N3O — CID 119952947

IUPAC3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride
SMILESCC(C)CC(CNC(=O)CC(N)c1ccccc1)N(C)C.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-13(2)10-15(20(3)4)12-19-17(21)11-16(18)14-8-6-5-7-9-14;;/h5-9,13,15-16H,10-12,18H2,1-4H3,(H,19,21);2*1H
InChIKeyOVUGGXYQULLBJQ-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.01
Rot. Bonds8

About 3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride

3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119952947) has the molecular formula C17H31Cl2N3O and a molecular weight of 364.36 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119952947
Molecular FormulaC17H31Cl2N3O
Molecular Weight364.36 g/mol
Exact Mass363.18
IUPAC Name3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride
SMILESCC(C)CC(CNC(=O)CC(N)c1ccccc1)N(C)C.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-13(2)10-15(20(3)4)12-19-17(21)11-16(18)14-8-6-5-7-9-14;;/h5-9,13,15-16H,10-12,18H2,1-4H3,(H,19,21);2*1H
InChIKeyOVUGGXYQULLBJQ-UHFFFAOYSA-N
XLogP3.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953969
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
(2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide
CID 61274682
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-4-methylpentanoate
CID 43704276
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
CID 24694165
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
3-amino-N-[3-[benzyl(methyl)amino]butyl]-3-phenylpropanamide;dihydrochloride
CID 119954189

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride (CID 119952947) is 3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride is CC(C)CC(CNC(=O)CC(N)c1ccccc1)N(C)C.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is OVUGGXYQULLBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.2ClH/c1-13(2)10-15(20(3)4)12-19-17(21)11-16(18)14-8-6-5-7-9-14;;/h5-9,13,15-16H,10-12,18H2,1-4H3,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 364.36 g/mol, XLogP of 3.01, 8 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)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119952947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).