4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride

C13H22ClCuN3O — CID 70426685

IUPAC4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(N)cc1.Cl.[Cu]
InChIInChI=1S/C13H21N3O.ClH.Cu/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H;
InChIKeyRHXAKQSEFVCGHP-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.76
Rot. Bonds6

About 4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride

4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride (PubChem CID 70426685) has the molecular formula C13H22ClCuN3O and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
PubChem CID70426685
Molecular FormulaC13H22ClCuN3O
Molecular Weight335.34 g/mol
Exact Mass334.07
IUPAC Name4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(N)cc1.Cl.[Cu]
InChIInChI=1S/C13H21N3O.ClH.Cu/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H;
InChIKeyRHXAKQSEFVCGHP-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide
CID 171391868
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-(diethylamino)ethyl]-4-[2-(methylamino)ethyl]benzamide
CID 10564500

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride?
The IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride (CID 70426685) is 4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride is CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl.[Cu].
What is the InChIKey of 4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride?
The InChIKey is RHXAKQSEFVCGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.ClH.Cu/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H;.
What are the key properties of 4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride?
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride has a molecular weight of 335.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride is sourced from PubChem (CID 70426685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).