3,4,5-tris(3-aminopropoxy)benzamide

C16H28N4O4 — CID 69015345

IUPAC3,4,5-tris(3-aminopropoxy)benzamide
SMILESNCCCOc1cc(C(N)=O)cc(OCCCN)c1OCCCN
InChIInChI=1S/C16H28N4O4/c17-4-1-7-22-13-10-12(16(20)21)11-14(23-8-2-5-18)15(13)24-9-3-6-19/h10-11H,1-9,17-19H2,(H2,20,21)
InChIKeyUCCKOBVJXCXHRD-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.03
Rot. Bonds13

About 3,4,5-tris(3-aminopropoxy)benzamide

3,4,5-tris(3-aminopropoxy)benzamide (PubChem CID 69015345) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3,4,5-tris(3-aminopropoxy)benzamide.

Molecular Properties

Compound Name3,4,5-tris(3-aminopropoxy)benzamide
PubChem CID69015345
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name3,4,5-tris(3-aminopropoxy)benzamide
SMILESNCCCOc1cc(C(N)=O)cc(OCCCN)c1OCCCN
InChIInChI=1S/C16H28N4O4/c17-4-1-7-22-13-10-12(16(20)21)11-14(23-8-2-5-18)15(13)24-9-3-6-19/h10-11H,1-9,17-19H2,(H2,20,21)
InChIKeyUCCKOBVJXCXHRD-UHFFFAOYSA-N
XLogP-0.03
TPSA148.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,4,5-tris(3-aminopropoxy)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

3,4,5-tris(3-aminopropoxy)aniline
CID 69014315
4-butoxy-3,5-dimethoxybenzamide
CID 3027029
4-butoxy-3,5-diiodobenzamide
CID 24834301
3-[2,3-bis(3-azaniumylpropoxy)-5-carboxyphenoxy]propylazanium trichloride
CID 11797829
[4-amino-1-[4-(3-aminopropoxy)-3-chlorophenyl]-4-oxobutylidene]azanium
CID 159005336
3,4,5-tri(dotriacontoxy)benzoic acid
CID 175251089
1-(3,4,5-triheptoxyphenyl)ethanone
CID 23127598
3-[2,3-bis(3-azaniumylpropoxy)-5-methoxycarbonylphenoxy]propylazanium
CID 102410826
4-amino-3-(3-hydroxypropoxy)benzamide
CID 63356843
3,4,5-tris(6-prop-2-enoyloxyhexoxy)benzoic acid
CID 90240498
ethyl 3,4,5-tridodecoxybenzoate;ethyl 3,4,5-trihydroxybenzoate
CID 159904194
lithium 3,4,5-trioctadecoxybenzoate
CID 101159278

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(3-aminopropoxy)benzamide?
The IUPAC name of 3,4,5-tris(3-aminopropoxy)benzamide (CID 69015345) is 3,4,5-tris(3-aminopropoxy)benzamide.
What is the SMILES notation for 3,4,5-tris(3-aminopropoxy)benzamide?
The canonical SMILES for 3,4,5-tris(3-aminopropoxy)benzamide is NCCCOc1cc(C(N)=O)cc(OCCCN)c1OCCCN.
What is the InChIKey of 3,4,5-tris(3-aminopropoxy)benzamide?
The InChIKey is UCCKOBVJXCXHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c17-4-1-7-22-13-10-12(16(20)21)11-14(23-8-2-5-18)15(13)24-9-3-6-19/h10-11H,1-9,17-19H2,(H2,20,21).
What are the key properties of 3,4,5-tris(3-aminopropoxy)benzamide?
3,4,5-tris(3-aminopropoxy)benzamide has a molecular weight of 340.42 g/mol, XLogP of -0.03, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(3-aminopropoxy)benzamide is sourced from PubChem (CID 69015345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).