3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride

C13H20ClN3O3 — CID 119504319

IUPAC3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
SMILESCNCCNC(=O)CCOc1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-15-6-7-16-12(17)5-8-19-11-4-2-3-10(9-11)13(14)18;/h2-4,9,15H,5-8H2,1H3,(H2,14,18)(H,16,17);1H
InChIKeyZTZYCFHFPDTRNG-UHFFFAOYSA-N
MW301.77 g/mol
LogP0.31
Rot. Bonds8

About 3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride

3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride (PubChem CID 119504319) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
PubChem CID119504319
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
SMILESCNCCNC(=O)CCOc1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-15-6-7-16-12(17)5-8-19-11-4-2-3-10(9-11)13(14)18;/h2-4,9,15H,5-8H2,1H3,(H2,14,18)(H,16,17);1H
InChIKeyZTZYCFHFPDTRNG-UHFFFAOYSA-N
XLogP0.31
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide
CID 119042263
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
3-propoxybenzamide
CID 22311435
(2S)-2-[3-(3-carbamoylphenoxy)propanoylamino]-3-methylbutanoic acid
CID 119359380
3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502998
3-[3-oxo-3-(piperidin-4-ylamino)propoxy]benzamide;hydrochloride
CID 119390379
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
[3-[2-(3-phenoxypropanoylamino)ethylcarbamoyl]phenyl] acetate
CID 108537486
3-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
CID 119464575
3-(5-butoxypentoxy)benzamide
CID 71713772

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride?
The IUPAC name of 3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride (CID 119504319) is 3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride.
What is the SMILES notation for 3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride?
The canonical SMILES for 3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride is CNCCNC(=O)CCOc1cccc(C(N)=O)c1.Cl.
What is the InChIKey of 3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride?
The InChIKey is ZTZYCFHFPDTRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.ClH/c1-15-6-7-16-12(17)5-8-19-11-4-2-3-10(9-11)13(14)18;/h2-4,9,15H,5-8H2,1H3,(H2,14,18)(H,16,17);1H.
What are the key properties of 3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride?
3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride is sourced from PubChem (CID 119504319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).