3-amino-2-[bis(2-hydroxyethyl)amino]benzamide

C11H17N3O3 — CID 112578295

IUPAC3-amino-2-[bis(2-hydroxyethyl)amino]benzamide
SMILESNC(=O)c1cccc(N)c1N(CCO)CCO
InChIInChI=1S/C11H17N3O3/c12-9-3-1-2-8(11(13)17)10(9)14(4-6-15)5-7-16/h1-3,15-16H,4-7,12H2,(H2,13,17)
InChIKeyKGUYBWQLVIXEJW-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.84
Rot. Bonds6

About 3-amino-2-[bis(2-hydroxyethyl)amino]benzamide

3-amino-2-[bis(2-hydroxyethyl)amino]benzamide (PubChem CID 112578295) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-amino-2-[bis(2-hydroxyethyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-2-[bis(2-hydroxyethyl)amino]benzamide
PubChem CID112578295
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name3-amino-2-[bis(2-hydroxyethyl)amino]benzamide
SMILESNC(=O)c1cccc(N)c1N(CCO)CCO
InChIInChI=1S/C11H17N3O3/c12-9-3-1-2-8(11(13)17)10(9)14(4-6-15)5-7-16/h1-3,15-16H,4-7,12H2,(H2,13,17)
InChIKeyKGUYBWQLVIXEJW-UHFFFAOYSA-N
XLogP-0.84
TPSA112.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[bis(2-methylpropyl)amino]benzamide
CID 112578297
3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide
CID 115934555
3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide
CID 112578972
2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 61243728
3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide
CID 112578601
3-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]benzamide
CID 112578538
3-amino-2-(N-ethylanilino)benzamide
CID 112577869
3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide
CID 115934610
2,3-diaminobenzamide;hydrochloride
CID 118989521
2,3-diaminobenzamide;dihydrochloride
CID 53422807
3-amino-2-[(2-amino-2-oxoethyl)-butylamino]benzoic acid
CID 112578598
3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 115934270

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[bis(2-hydroxyethyl)amino]benzamide?
The IUPAC name of 3-amino-2-[bis(2-hydroxyethyl)amino]benzamide (CID 112578295) is 3-amino-2-[bis(2-hydroxyethyl)amino]benzamide.
What is the SMILES notation for 3-amino-2-[bis(2-hydroxyethyl)amino]benzamide?
The canonical SMILES for 3-amino-2-[bis(2-hydroxyethyl)amino]benzamide is NC(=O)c1cccc(N)c1N(CCO)CCO.
What is the InChIKey of 3-amino-2-[bis(2-hydroxyethyl)amino]benzamide?
The InChIKey is KGUYBWQLVIXEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-9-3-1-2-8(11(13)17)10(9)14(4-6-15)5-7-16/h1-3,15-16H,4-7,12H2,(H2,13,17).
What are the key properties of 3-amino-2-[bis(2-hydroxyethyl)amino]benzamide?
3-amino-2-[bis(2-hydroxyethyl)amino]benzamide has a molecular weight of 239.28 g/mol, XLogP of -0.84, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[bis(2-hydroxyethyl)amino]benzamide is sourced from PubChem (CID 112578295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).