4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide

C12H19AsN2O — CID 175266582

IUPAC4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide
SMILESCN(CC[As](C)C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C12H19AsN2O/c1-13(2)8-9-15(3)12(16)10-4-6-11(14)7-5-10/h4-7H,8-9,14H2,1-3H3
InChIKeyKHJBDNKZAGINNI-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.10
Rot. Bonds4

About 4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide

4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide (PubChem CID 175266582) has the molecular formula C12H19AsN2O and a molecular weight of 282.22 g/mol. Its IUPAC name is 4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide
PubChem CID175266582
Molecular FormulaC12H19AsN2O
Molecular Weight282.22 g/mol
Exact Mass282.07
IUPAC Name4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide
SMILESCN(CC[As](C)C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C12H19AsN2O/c1-13(2)8-9-15(3)12(16)10-4-6-11(14)7-5-10/h4-7H,8-9,14H2,1-3H3
InChIKeyKHJBDNKZAGINNI-UHFFFAOYSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide?
The IUPAC name of 4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide (CID 175266582) is 4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide is CN(CC[As](C)C)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide?
The InChIKey is KHJBDNKZAGINNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19AsN2O/c1-13(2)8-9-15(3)12(16)10-4-6-11(14)7-5-10/h4-7H,8-9,14H2,1-3H3.
What are the key properties of 4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide?
4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide has a molecular weight of 282.22 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide is sourced from PubChem (CID 175266582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).