3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride

C15H26Cl2N4O2 — CID 119867722

IUPAC3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1.Cl.Cl
InChIInChI=1S/C15H24N4O2.2ClH/c1-11(16)14(20)18-10-12-5-4-6-13(9-12)15(21)17-7-8-19(2)3;;/h4-6,9,11H,7-8,10,16H2,1-3H3,(H,17,21)(H,18,20);2*1H/t11-;;/m1../s1
InChIKeyQAENPSGMOBICEP-NVJADKKVSA-N
MW365.31 g/mol
LogP0.79
Rot. Bonds7

About 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride

3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride (PubChem CID 119867722) has the molecular formula C15H26Cl2N4O2 and a molecular weight of 365.31 g/mol. Its IUPAC name is 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
PubChem CID119867722
Molecular FormulaC15H26Cl2N4O2
Molecular Weight365.31 g/mol
Exact Mass364.14
IUPAC Name3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1.Cl.Cl
InChIInChI=1S/C15H24N4O2.2ClH/c1-11(16)14(20)18-10-12-5-4-6-13(9-12)15(21)17-7-8-19(2)3;;/h4-6,9,11H,7-8,10,16H2,1-3H3,(H,17,21)(H,18,20);2*1H/t11-;;/m1../s1
InChIKeyQAENPSGMOBICEP-NVJADKKVSA-N
XLogP0.79
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
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3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
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3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119289031
N-[2-(dimethylamino)ethyl]-3-[[(N'-methylcarbamimidoyl)amino]methyl]benzamide
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3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride
CID 119296114
N-[2-(dimethylamino)ethyl]-3-[[(3-propan-2-yloxyphenyl)methylcarbamoylamino]methyl]benzamide
CID 86884508
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
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N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041522
N-[2-(dimethylamino)ethyl]-3-[[4-(methylamino)butanoylamino]methyl]benzamide;dihydrochloride
CID 119867704
N-[2-(dimethylamino)ethyl]-3-[[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]methyl]benzamide
CID 110977683
N-[2-(dimethylamino)ethyl]-3-[[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111248076
3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride?
The IUPAC name of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride (CID 119867722) is 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride is C[C@@H](N)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1.Cl.Cl.
What is the InChIKey of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride?
The InChIKey is QAENPSGMOBICEP-NVJADKKVSA-N. The full InChI is InChI=1S/C15H24N4O2.2ClH/c1-11(16)14(20)18-10-12-5-4-6-13(9-12)15(21)17-7-8-19(2)3;;/h4-6,9,11H,7-8,10,16H2,1-3H3,(H,17,21)(H,18,20);2*1H/t11-;;/m1../s1.
What are the key properties of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride?
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride has a molecular weight of 365.31 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119867722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).