N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride

C13H20ClN3O2 — CID 119432544

IUPACN-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)CNC(=O)c1ccccc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-14-8-5-9-15-12(17)10-16-13(18)11-6-3-2-4-7-11;/h2-4,6-7,14H,5,8-10H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyXDOZVHPOMZFXGO-UHFFFAOYSA-N
MW285.77 g/mol
LogP0.56
Rot. Bonds7

About N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride

N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 119432544) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
PubChem CID119432544
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC NameN-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)CNC(=O)c1ccccc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-14-8-5-9-15-12(17)10-16-13(18)11-6-3-2-4-7-11;/h2-4,6-7,14H,5,8-10H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyXDOZVHPOMZFXGO-UHFFFAOYSA-N
XLogP0.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
N-[2-[3-[(2-cyanoacetyl)amino]propylamino]-2-oxoethyl]benzamide
CID 108924260
N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119384286
4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide
CID 82097377
N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide
CID 90500499
N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide
CID 62658623
N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide
CID 61344378
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119431387
N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide
CID 46424122
N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119503351
4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride
CID 119429836

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride (CID 119432544) is N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride is CNCCCNC(=O)CNC(=O)c1ccccc1.Cl.
What is the InChIKey of N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is XDOZVHPOMZFXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-14-8-5-9-15-12(17)10-16-13(18)11-6-3-2-4-7-11;/h2-4,6-7,14H,5,8-10H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride?
N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 119432544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).