2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide

C13H21N3O3 — CID 114098605

IUPAC2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide
SMILESCOCCOCCCNc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C13H21N3O3/c1-18-7-8-19-6-2-5-16-10-3-4-12(14)11(9-10)13(15)17/h3-4,9,16H,2,5-8,14H2,1H3,(H2,15,17)
InChIKeyIUIXOWBKGYNYNZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.83
Rot. Bonds9

About 2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide

2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide (PubChem CID 114098605) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide.

Molecular Properties

Compound Name2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide
PubChem CID114098605
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide
SMILESCOCCOCCCNc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C13H21N3O3/c1-18-7-8-19-6-2-5-16-10-3-4-12(14)11(9-10)13(15)17/h3-4,9,16H,2,5-8,14H2,1H3,(H2,15,17)
InChIKeyIUIXOWBKGYNYNZ-UHFFFAOYSA-N
XLogP0.83
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-amino-5-(3-ethoxypropylamino)benzamide
CID 61306219
2-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzamide
CID 62848528
2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide
CID 106240860
5-(2-acetamidoethylamino)-2-aminobenzamide
CID 61306771
2-amino-5-(2-methylsulfonylethylamino)benzamide
CID 61312641
2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide
CID 106262491
4-(3-acetyl-4-aminoanilino)butanamide
CID 113432981
2-[3-(4-amino-3-methoxyanilino)propoxy]ethanol
CID 106308975
methyl 2-amino-5-[2-(2,2,2-trifluoroethoxy)ethylamino]benzoate
CID 63832853
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]benzamide
CID 104561439
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409298
methyl 2-amino-5-(4-methylpentylamino)benzoate
CID 63002592

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide?
The IUPAC name of 2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide (CID 114098605) is 2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide.
What is the SMILES notation for 2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide?
The canonical SMILES for 2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide is COCCOCCCNc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide?
The InChIKey is IUIXOWBKGYNYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-18-7-8-19-6-2-5-16-10-3-4-12(14)11(9-10)13(15)17/h3-4,9,16H,2,5-8,14H2,1H3,(H2,15,17).
What are the key properties of 2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide?
2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide has a molecular weight of 267.33 g/mol, XLogP of 0.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide is sourced from PubChem (CID 114098605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).