7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride

C17H30Cl3N3O — CID 119832233

IUPAC7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride
SMILESCN(C)C(CNC(=O)CCCCCCN)c1ccccc1Cl.Cl.Cl
InChIInChI=1S/C17H28ClN3O.2ClH/c1-21(2)16(14-9-6-7-10-15(14)18)13-20-17(22)11-5-3-4-8-12-19;;/h6-7,9-10,16H,3-5,8,11-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyZIJFDVJARMCAMY-UHFFFAOYSA-N
MW398.81 g/mol
LogP3.81
Rot. Bonds10

About 7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride

7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride (PubChem CID 119832233) has the molecular formula C17H30Cl3N3O and a molecular weight of 398.81 g/mol. Its IUPAC name is 7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride
PubChem CID119832233
Molecular FormulaC17H30Cl3N3O
Molecular Weight398.81 g/mol
Exact Mass397.15
IUPAC Name7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride
SMILESCN(C)C(CNC(=O)CCCCCCN)c1ccccc1Cl.Cl.Cl
InChIInChI=1S/C17H28ClN3O.2ClH/c1-21(2)16(14-9-6-7-10-15(14)18)13-20-17(22)11-5-3-4-8-12-19;;/h6-7,9-10,16H,3-5,8,11-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyZIJFDVJARMCAMY-UHFFFAOYSA-N
XLogP3.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 53.81
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

7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride
CID 119828718
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452
7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride
CID 119717437
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9389492
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-cyclopentylsulfonylpropanamide
CID 71895035
4-bromo-N-[3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-oxopropyl]benzamide
CID 43003283
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119832261
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 8916242
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
3-(6-aminohexanoylamino)-2-phenylpropanoic acid
CID 62883152

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride (CID 119832233) is 7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride is CN(C)C(CNC(=O)CCCCCCN)c1ccccc1Cl.Cl.Cl.
What is the InChIKey of 7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride?
The InChIKey is ZIJFDVJARMCAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O.2ClH/c1-21(2)16(14-9-6-7-10-15(14)18)13-20-17(22)11-5-3-4-8-12-19;;/h6-7,9-10,16H,3-5,8,11-13,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride?
7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride has a molecular weight of 398.81 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119832233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).