4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride

C12H18ClN3O3 — CID 120703846

IUPAC4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride
SMILESCNCC(=O)NCCNC(=O)c1ccc(O)cc1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-13-8-11(17)14-6-7-15-12(18)9-2-4-10(16)5-3-9;/h2-5,13,16H,6-8H2,1H3,(H,14,17)(H,15,18);1H
InChIKeyUKTBRJWWSFXPIQ-UHFFFAOYSA-N
MW287.75 g/mol
LogP-0.12
Rot. Bonds6

About 4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride

4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride (PubChem CID 120703846) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride
PubChem CID120703846
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride
SMILESCNCC(=O)NCCNC(=O)c1ccc(O)cc1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-13-8-11(17)14-6-7-15-12(18)9-2-4-10(16)5-3-9;/h2-5,13,16H,6-8H2,1H3,(H,14,17)(H,15,18);1H
InChIKeyUKTBRJWWSFXPIQ-UHFFFAOYSA-N
XLogP-0.12
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride (CID 120703846) is 4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride is CNCC(=O)NCCNC(=O)c1ccc(O)cc1.Cl.
What is the InChIKey of 4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride?
The InChIKey is UKTBRJWWSFXPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.ClH/c1-13-8-11(17)14-6-7-15-12(18)9-2-4-10(16)5-3-9;/h2-5,13,16H,6-8H2,1H3,(H,14,17)(H,15,18);1H.
What are the key properties of 4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride?
4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of -0.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 120703846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).