N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine

C16H28AsNO2 — CID 23265971

IUPACN-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine
SMILESCCCCN(CCCC)[As](=O)(OCC)c1ccccc1
InChIInChI=1S/C16H28AsNO2/c1-4-7-14-18(15-8-5-2)17(19,20-6-3)16-12-10-9-11-13-16/h9-13H,4-8,14-15H2,1-3H3
InChIKeyQJNKYIXXNNNAEZ-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.20
Rot. Bonds10

About N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine

N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine (PubChem CID 23265971) has the molecular formula C16H28AsNO2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine
PubChem CID23265971
Molecular FormulaC16H28AsNO2
Molecular Weight341.33 g/mol
Exact Mass341.13
IUPAC NameN-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine
SMILESCCCCN(CCCC)[As](=O)(OCC)c1ccccc1
InChIInChI=1S/C16H28AsNO2/c1-4-7-14-18(15-8-5-2)17(19,20-6-3)16-12-10-9-11-13-16/h9-13H,4-8,14-15H2,1-3H3
InChIKeyQJNKYIXXNNNAEZ-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine 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

[bromo(ethoxy)arsoryl]benzene
CID 71371820
N-butyl-N-phenylsulfanylbutan-1-amine
CID 91484736
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
[dibutyl-[hydroxy(phenyl)arsoryl]oxystannyl]oxy-phenylarsinic acid
CID 71319306
2-(carboxymethoxy)acetic acid;N,N-dibutylaniline
CID 160531229
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
N,N-dibutyl-2-(2-hydroxyphenyl)acetamide
CID 78916820
2-[2-[(dibutylamino)methyl]phenyl]acetic acid
CID 115462548
N,N-dimethylbutan-1-amine;N-methylaniline
CID 174844053
N,N-dibutyl-2-phenoxybutanamide
CID 3492483
N,N-dibutylbutan-1-amine;phenol
CID 172785095
N-benzyl-N-butylpropanamide
CID 12502571

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine?
The IUPAC name of N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine (CID 23265971) is N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine?
The canonical SMILES for N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine is CCCCN(CCCC)[As](=O)(OCC)c1ccccc1.
What is the InChIKey of N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine?
The InChIKey is QJNKYIXXNNNAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28AsNO2/c1-4-7-14-18(15-8-5-2)17(19,20-6-3)16-12-10-9-11-13-16/h9-13H,4-8,14-15H2,1-3H3.
What are the key properties of N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine?
N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine has a molecular weight of 341.33 g/mol, XLogP of 3.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[ethoxy(phenyl)arsoryl]butan-1-amine is sourced from PubChem (CID 23265971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).