2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride

C14H25Cl2N3O — CID 119852800

IUPAC2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride
SMILESCN(C)CCCCNC(=O)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-17(2)11-7-6-10-16-14(18)13(15)12-8-4-3-5-9-12;;/h3-5,8-9,13H,6-7,10-11,15H2,1-2H3,(H,16,18);2*1H
InChIKeySGKGLDGSJKEPSC-UHFFFAOYSA-N
MW322.28 g/mol
LogP1.99
Rot. Bonds7

About 2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride

2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride (PubChem CID 119852800) has the molecular formula C14H25Cl2N3O and a molecular weight of 322.28 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride
PubChem CID119852800
Molecular FormulaC14H25Cl2N3O
Molecular Weight322.28 g/mol
Exact Mass321.14
IUPAC Name2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride
SMILESCN(C)CCCCNC(=O)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-17(2)11-7-6-10-16-14(18)13(15)12-8-4-3-5-9-12;;/h3-5,8-9,13H,6-7,10-11,15H2,1-2H3,(H,16,18);2*1H
InChIKeySGKGLDGSJKEPSC-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 51.99
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-(dimethylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 120994237
2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 63323737
(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
CID 104897653
2-amino-N-(3-formamidopropyl)-2-phenylacetamide
CID 110463054
(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 104984289
2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide
CID 119855322
(2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide
CID 114127295
2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
CID 63960595
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
CID 103870672

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride (CID 119852800) is 2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride is CN(C)CCCCNC(=O)C(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride?
The InChIKey is SGKGLDGSJKEPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.2ClH/c1-17(2)11-7-6-10-16-14(18)13(15)12-8-4-3-5-9-12;;/h3-5,8-9,13H,6-7,10-11,15H2,1-2H3,(H,16,18);2*1H.
What are the key properties of 2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride?
2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride has a molecular weight of 322.28 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride is sourced from PubChem (CID 119852800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).