4-amino-2-(6-hydroxyhexylamino)benzamide

C13H21N3O2 — CID 107844200

IUPAC4-amino-2-(6-hydroxyhexylamino)benzamide
SMILESNC(=O)c1ccc(N)cc1NCCCCCCO
InChIInChI=1S/C13H21N3O2/c14-10-5-6-11(13(15)18)12(9-10)16-7-3-1-2-4-8-17/h5-6,9,16-17H,1-4,7-8,14H2,(H2,15,18)
InChIKeyBMTUGUCAPFDZFT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.33
Rot. Bonds8

About 4-amino-2-(6-hydroxyhexylamino)benzamide

4-amino-2-(6-hydroxyhexylamino)benzamide (PubChem CID 107844200) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-2-(6-hydroxyhexylamino)benzamide.

Molecular Properties

Compound Name4-amino-2-(6-hydroxyhexylamino)benzamide
PubChem CID107844200
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-2-(6-hydroxyhexylamino)benzamide
SMILESNC(=O)c1ccc(N)cc1NCCCCCCO
InChIInChI=1S/C13H21N3O2/c14-10-5-6-11(13(15)18)12(9-10)16-7-3-1-2-4-8-17/h5-6,9,16-17H,1-4,7-8,14H2,(H2,15,18)
InChIKeyBMTUGUCAPFDZFT-UHFFFAOYSA-N
XLogP1.33
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(4-methylsulfanylbutylamino)benzamide
CID 113487250
4-amino-2-[2-(carbamoylamino)ethylamino]benzamide
CID 83117175
6-(2,4-diaminoanilino)hexan-1-ol
CID 143590092
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
4-amino-2-(2,2-difluoroethylamino)benzamide
CID 115405473
4-amino-2-(5-hydroxypentoxy)benzamide
CID 106955432
6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol
CID 107843932
4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide
CID 106095687
4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 114183117
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298
4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358089
4-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 80680908

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(6-hydroxyhexylamino)benzamide?
The IUPAC name of 4-amino-2-(6-hydroxyhexylamino)benzamide (CID 107844200) is 4-amino-2-(6-hydroxyhexylamino)benzamide.
What is the SMILES notation for 4-amino-2-(6-hydroxyhexylamino)benzamide?
The canonical SMILES for 4-amino-2-(6-hydroxyhexylamino)benzamide is NC(=O)c1ccc(N)cc1NCCCCCCO.
What is the InChIKey of 4-amino-2-(6-hydroxyhexylamino)benzamide?
The InChIKey is BMTUGUCAPFDZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-10-5-6-11(13(15)18)12(9-10)16-7-3-1-2-4-8-17/h5-6,9,16-17H,1-4,7-8,14H2,(H2,15,18).
What are the key properties of 4-amino-2-(6-hydroxyhexylamino)benzamide?
4-amino-2-(6-hydroxyhexylamino)benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.33, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(6-hydroxyhexylamino)benzamide is sourced from PubChem (CID 107844200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).