N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide

C14H20INO3 — CID 104627387

IUPACN-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide
SMILESCCCCOCCCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H20INO3/c1-2-3-8-19-9-4-7-16-14(18)11-5-6-12(15)13(17)10-11/h5-6,10,17H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyRDFJIDUUJCZCGZ-UHFFFAOYSA-N
MW377.22 g/mol
LogP2.93
Rot. Bonds8

About N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide

N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide (PubChem CID 104627387) has the molecular formula C14H20INO3 and a molecular weight of 377.22 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide
PubChem CID104627387
Molecular FormulaC14H20INO3
Molecular Weight377.22 g/mol
Exact Mass377.05
IUPAC NameN-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide
SMILESCCCCOCCCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H20INO3/c1-2-3-8-19-9-4-7-16-14(18)11-5-6-12(15)13(17)10-11/h5-6,10,17H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyRDFJIDUUJCZCGZ-UHFFFAOYSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
N-(3-butoxypropyl)-4-fluoro-3-sulfanylbenzamide
CID 107035417
N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide
CID 104628255
3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 104629259
N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27682949
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
CID 113434653
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104628967
3-amino-N-(2-butoxyethyl)-4-methylbenzamide
CID 61169083

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide (CID 104627387) is N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide is CCCCOCCCNC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide?
The InChIKey is RDFJIDUUJCZCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO3/c1-2-3-8-19-9-4-7-16-14(18)11-5-6-12(15)13(17)10-11/h5-6,10,17H,2-4,7-9H2,1H3,(H,16,18).
What are the key properties of N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide?
N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide has a molecular weight of 377.22 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104627387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).