4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide

C19H30IN3O3 — CID 16748088

IUPAC4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide
SMILESCCCCN(C)CCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC
InChIInChI=1S/C19H30IN3O3/c1-5-6-10-23(3)11-8-7-9-21-19(25)15-12-16(20)17(22-14(2)24)13-18(15)26-4/h12-13H,5-11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeySSZFGJAQGRGINE-UHFFFAOYSA-N
MW475.37 g/mol
LogP3.50
Rot. Bonds11

About 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide

4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide (PubChem CID 16748088) has the molecular formula C19H30IN3O3 and a molecular weight of 475.37 g/mol. Its IUPAC name is 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide
PubChem CID16748088
Molecular FormulaC19H30IN3O3
Molecular Weight475.37 g/mol
Exact Mass475.13
IUPAC Name4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide
SMILESCCCCN(C)CCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC
InChIInChI=1S/C19H30IN3O3/c1-5-6-10-23(3)11-8-7-9-21-19(25)15-12-16(20)17(22-14(2)24)13-18(15)26-4/h12-13H,5-11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeySSZFGJAQGRGINE-UHFFFAOYSA-N
XLogP3.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide?
The IUPAC name of 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide (CID 16748088) is 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide.
What is the SMILES notation for 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide?
The canonical SMILES for 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide is CCCCN(C)CCCCNC(=O)c1cc(I)c(NC(C)=O)cc1OC.
What is the InChIKey of 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide?
The InChIKey is SSZFGJAQGRGINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30IN3O3/c1-5-6-10-23(3)11-8-7-9-21-19(25)15-12-16(20)17(22-14(2)24)13-18(15)26-4/h12-13H,5-11H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide?
4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide has a molecular weight of 475.37 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-[butyl(methyl)amino]butyl]-5-iodo-2-methoxybenzamide is sourced from PubChem (CID 16748088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).