4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride

C11H16ClN3O2 — CID 119689751

IUPAC4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
SMILESCCNC(=O)CNC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C11H15N3O2.ClH/c1-2-13-10(15)7-14-11(16)8-3-5-9(12)6-4-8;/h3-6H,2,7,12H2,1H3,(H,13,15)(H,14,16);1H
InChIKeyCAYMYGPMWFKBMA-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.56
Rot. Bonds4

About 4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride

4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride (PubChem CID 119689751) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
PubChem CID119689751
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
SMILESCCNC(=O)CNC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C11H15N3O2.ClH/c1-2-13-10(15)7-14-11(16)8-3-5-9(12)6-4-8;/h3-6H,2,7,12H2,1H3,(H,13,15)(H,14,16);1H
InChIKeyCAYMYGPMWFKBMA-UHFFFAOYSA-N
XLogP0.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride (CID 119689751) is 4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride is CCNC(=O)CNC(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is CAYMYGPMWFKBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.ClH/c1-2-13-10(15)7-14-11(16)8-3-5-9(12)6-4-8;/h3-6H,2,7,12H2,1H3,(H,13,15)(H,14,16);1H.
What are the key properties of 4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride?
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 119689751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).