N-(4-hydroxybutyl)-2,5-dimethoxybenzamide

C13H19NO4 — CID 106843793

IUPACN-(4-hydroxybutyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCCCCO)c1
InChIInChI=1S/C13H19NO4/c1-17-10-5-6-12(18-2)11(9-10)13(16)14-7-3-4-8-15/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyNJTIJEYOBNIQJN-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.21
Rot. Bonds7

About N-(4-hydroxybutyl)-2,5-dimethoxybenzamide

N-(4-hydroxybutyl)-2,5-dimethoxybenzamide (PubChem CID 106843793) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2,5-dimethoxybenzamide
PubChem CID106843793
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(4-hydroxybutyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCCCCO)c1
InChIInChI=1S/C13H19NO4/c1-17-10-5-6-12(18-2)11(9-10)13(16)14-7-3-4-8-15/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyNJTIJEYOBNIQJN-UHFFFAOYSA-N
XLogP1.21
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
3-bromo-N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843728
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(4-hydroxybutyl)-2,5-dimethoxybenzamide (CID 106843793) is N-(4-hydroxybutyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(4-hydroxybutyl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NCCCCO)c1.
What is the InChIKey of N-(4-hydroxybutyl)-2,5-dimethoxybenzamide?
The InChIKey is NJTIJEYOBNIQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-17-10-5-6-12(18-2)11(9-10)13(16)14-7-3-4-8-15/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxybutyl)-2,5-dimethoxybenzamide?
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 106843793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).