4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide

C12H19N3O3 — CID 106243281

IUPAC4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide
SMILESCOCC(O)CCNc1cc(C(N)=O)ccc1N
InChIInChI=1S/C12H19N3O3/c1-18-7-9(16)4-5-15-11-6-8(12(14)17)2-3-10(11)13/h2-3,6,9,15-16H,4-5,7,13H2,1H3,(H2,14,17)
InChIKeyYMUAALKOHBSOTO-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.18
Rot. Bonds7

About 4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide

4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide (PubChem CID 106243281) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide
PubChem CID106243281
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide
SMILESCOCC(O)CCNc1cc(C(N)=O)ccc1N
InChIInChI=1S/C12H19N3O3/c1-18-7-9(16)4-5-15-11-6-8(12(14)17)2-3-10(11)13/h2-3,6,9,15-16H,4-5,7,13H2,1H3,(H2,14,17)
InChIKeyYMUAALKOHBSOTO-UHFFFAOYSA-N
XLogP0.18
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.18
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

4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol
CID 106243145
4-amino-3-[(4-hydroxy-1-methoxybutan-2-yl)amino]benzamide
CID 106153852
4-amino-3-(3-ethoxypropylamino)benzamide
CID 63355784
3-(2-acetamidoethylamino)-4-aminobenzamide
CID 63356051
4-amino-3-(2-prop-2-enoxyethylamino)benzamide
CID 114264610
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide
CID 112750978
4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162951
4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol
CID 114163073
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol
CID 106243071
4-amino-3-(6-methylsulfanylhexylamino)benzamide
CID 114124771

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide?
The IUPAC name of 4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide (CID 106243281) is 4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide?
The canonical SMILES for 4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide is COCC(O)CCNc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide?
The InChIKey is YMUAALKOHBSOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-18-7-9(16)4-5-15-11-6-8(12(14)17)2-3-10(11)13/h2-3,6,9,15-16H,4-5,7,13H2,1H3,(H2,14,17).
What are the key properties of 4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide?
4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide has a molecular weight of 253.30 g/mol, XLogP of 0.18, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(3-hydroxy-4-methoxybutyl)amino]benzamide is sourced from PubChem (CID 106243281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).