N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride

C11H16ClN3O2 — CID 119384286

IUPACN-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride
SMILESCl.NCCNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C11H15N3O2.ClH/c12-6-7-13-10(15)8-14-11(16)9-4-2-1-3-5-9;/h1-5H,6-8,12H2,(H,13,15)(H,14,16);1H
InChIKeyXLBXOPYNHISZQZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP-0.09
Rot. Bonds5

About N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride

N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride (PubChem CID 119384286) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride
PubChem CID119384286
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC NameN-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride
SMILESCl.NCCNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C11H15N3O2.ClH/c12-6-7-13-10(15)8-14-11(16)9-4-2-1-3-5-9;/h1-5H,6-8,12H2,(H,13,15)(H,14,16);1H
InChIKeyXLBXOPYNHISZQZ-UHFFFAOYSA-N
XLogP-0.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
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CID 143976252
N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119432544
4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide
CID 82097377
N-[2-[(2-benzamidoacetyl)amino]ethyl]-3,4,5-trihydroxybenzamide
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N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide
CID 62658623
2-[(2-benzamidoacetyl)amino]propanedioic acid
CID 44626300
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
N-[2-[3-[(2-cyanoacetyl)amino]propylamino]-2-oxoethyl]benzamide
CID 108924260
(2S)-6-amino-2-[(2-benzamidoacetyl)amino]hexanoic acid
CID 7010495
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CID 90500499

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride (CID 119384286) is N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride is Cl.NCCNC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is XLBXOPYNHISZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.ClH/c12-6-7-13-10(15)8-14-11(16)9-4-2-1-3-5-9;/h1-5H,6-8,12H2,(H,13,15)(H,14,16);1H.
What are the key properties of N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride?
N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 119384286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).