3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide

C13H21IN2O2 — CID 17387279

IUPAC3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide
SMILESC[N+](C)(C)CCCNC(=O)c1ccccc1O.[I-]
InChIInChI=1S/C13H20N2O2.HI/c1-15(2,3)10-6-9-14-13(17)11-7-4-5-8-12(11)16;/h4-5,7-8H,6,9-10H2,1-3H3,(H-,14,16,17);1H
InChIKeySUEIQBWIAVBKPZ-UHFFFAOYSA-N
MW364.23 g/mol
LogP-1.78
Rot. Bonds5

About 3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide

3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide (PubChem CID 17387279) has the molecular formula C13H21IN2O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide.

Molecular Properties

Compound Name3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide
PubChem CID17387279
Molecular FormulaC13H21IN2O2
Molecular Weight364.23 g/mol
Exact Mass364.06
IUPAC Name3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide
SMILESC[N+](C)(C)CCCNC(=O)c1ccccc1O.[I-]
InChIInChI=1S/C13H20N2O2.HI/c1-15(2,3)10-6-9-14-13(17)11-7-4-5-8-12(11)16;/h4-5,7-8H,6,9-10H2,1-3H3,(H-,14,16,17);1H
InChIKeySUEIQBWIAVBKPZ-UHFFFAOYSA-N
XLogP-1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(10-oxoundecyl)benzamide
CID 21335630
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462
N-(10-aminodecyl)-2-hydroxybenzamide;hydrochloride
CID 10268368
5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 104681612
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
10-[(2-hydroxybenzoyl)amino]decanoate
CID 145137506
2-hydroxy-N-(4-sulfanylhexadecyl)benzamide
CID 88819148
azanium 8-[(2-hydroxybenzoyl)amino]octanoate
CID 171364107
N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide
CID 59345613
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide?
The IUPAC name of 3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide (CID 17387279) is 3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide.
What is the SMILES notation for 3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide?
The canonical SMILES for 3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide is C[N+](C)(C)CCCNC(=O)c1ccccc1O.[I-].
What is the InChIKey of 3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide?
The InChIKey is SUEIQBWIAVBKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.HI/c1-15(2,3)10-6-9-14-13(17)11-7-4-5-8-12(11)16;/h4-5,7-8H,6,9-10H2,1-3H3,(H-,14,16,17);1H.
What are the key properties of 3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide?
3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide has a molecular weight of 364.23 g/mol, XLogP of -1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide is sourced from PubChem (CID 17387279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).