3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide

C14H23N3O2 — CID 106113803

IUPAC3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide
SMILESCCCC(CCO)CNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H23N3O2/c1-2-3-10(6-7-18)9-17-13-5-4-11(14(16)19)8-12(13)15/h4-5,8,10,17-18H,2-3,6-7,9,15H2,1H3,(H2,16,19)
InChIKeyBTXXYSCYVMZTOL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.58
Rot. Bonds8

About 3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide

3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide (PubChem CID 106113803) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide.

Molecular Properties

Compound Name3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide
PubChem CID106113803
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide
SMILESCCCC(CCO)CNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H23N3O2/c1-2-3-10(6-7-18)9-17-13-5-4-11(14(16)19)8-12(13)15/h4-5,8,10,17-18H,2-3,6-7,9,15H2,1H3,(H2,16,19)
InChIKeyBTXXYSCYVMZTOL-UHFFFAOYSA-N
XLogP1.58
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide
CID 106113866
3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide
CID 82991324
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-4-(2,3-dihydroxypropylamino)benzamide
CID 66176345
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol
CID 114145219
3-[[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]hexan-1-ol
CID 106113840
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
3-[(4-amino-3-methylanilino)methyl]hexan-1-ol
CID 114145208
3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide
CID 106115793
3-amino-4-(3-ethylpentan-3-ylamino)benzamide
CID 65039779

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide?
The IUPAC name of 3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide (CID 106113803) is 3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide.
What is the SMILES notation for 3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide?
The canonical SMILES for 3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide is CCCC(CCO)CNc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide?
The InChIKey is BTXXYSCYVMZTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-10(6-7-18)9-17-13-5-4-11(14(16)19)8-12(13)15/h4-5,8,10,17-18H,2-3,6-7,9,15H2,1H3,(H2,16,19).
What are the key properties of 3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide?
3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide has a molecular weight of 265.36 g/mol, XLogP of 1.58, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide is sourced from PubChem (CID 106113803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).