(3-diethylarsanylphenyl) N-methylcarbamate;iodomethane

C13H21AsINO2 — CID 23621975

IUPAC(3-diethylarsanylphenyl) N-methylcarbamate;iodomethane
SMILESCC[As](CC)c1cccc(OC(=O)NC)c1.CI
InChIInChI=1S/C12H18AsNO2.CH3I/c1-4-13(5-2)10-7-6-8-11(9-10)16-12(15)14-3;1-2/h6-9H,4-5H2,1-3H3,(H,14,15);1H3
InChIKeyVROWRKBXALBFKX-UHFFFAOYSA-N
MW425.14 g/mol
LogP3.20
Rot. Bonds4

About (3-diethylarsanylphenyl) N-methylcarbamate;iodomethane

(3-diethylarsanylphenyl) N-methylcarbamate;iodomethane (PubChem CID 23621975) has the molecular formula C13H21AsINO2 and a molecular weight of 425.14 g/mol. Its IUPAC name is (3-diethylarsanylphenyl) N-methylcarbamate;iodomethane.

Molecular Properties

Compound Name(3-diethylarsanylphenyl) N-methylcarbamate;iodomethane
PubChem CID23621975
Molecular FormulaC13H21AsINO2
Molecular Weight425.14 g/mol
Exact Mass424.98
IUPAC Name(3-diethylarsanylphenyl) N-methylcarbamate;iodomethane
SMILESCC[As](CC)c1cccc(OC(=O)NC)c1.CI
InChIInChI=1S/C12H18AsNO2.CH3I/c1-4-13(5-2)10-7-6-8-11(9-10)16-12(15)14-3;1-2/h6-9H,4-5H2,1-3H3,(H,14,15);1H3
InChIKeyVROWRKBXALBFKX-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.14
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-diethylarsanylphenyl) N-methylcarbamate;iodomethane 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

(3-dimethylarsanylphenyl) N-methylcarbamate;iodomethane
CID 45050248
[3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane
CID 23621749
(3-isocyanophenyl) N-methylcarbamate
CID 54081257
[3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]phenyl] N-methylcarbamate
CID 87064525
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
methanedisulfonic acid;(3-methylphenyl) N-methylcarbamate
CID 88837108
[3-(butoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105211
[3-[[(E)-2-methylbut-2-enoyl]amino]phenyl] N-methylcarbamate
CID 6070588
[3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenyl] N-methylcarbamate;hydrochloride
CID 50899286
butyl dihydrogen phosphate;(3-methylphenyl) N-methylcarbamate
CID 67592922
[3-(diethylamino)phenyl] N-ethylcarbamate;iodomethane
CID 23621882
[3-(1,1,1,3,3,4,4,4-octafluoro-2-methylbutan-2-yl)phenyl] N-methylcarbamate
CID 87064360

Frequently Asked Questions

What is the IUPAC name of (3-diethylarsanylphenyl) N-methylcarbamate;iodomethane?
The IUPAC name of (3-diethylarsanylphenyl) N-methylcarbamate;iodomethane (CID 23621975) is (3-diethylarsanylphenyl) N-methylcarbamate;iodomethane.
What is the SMILES notation for (3-diethylarsanylphenyl) N-methylcarbamate;iodomethane?
The canonical SMILES for (3-diethylarsanylphenyl) N-methylcarbamate;iodomethane is CC[As](CC)c1cccc(OC(=O)NC)c1.CI.
What is the InChIKey of (3-diethylarsanylphenyl) N-methylcarbamate;iodomethane?
The InChIKey is VROWRKBXALBFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18AsNO2.CH3I/c1-4-13(5-2)10-7-6-8-11(9-10)16-12(15)14-3;1-2/h6-9H,4-5H2,1-3H3,(H,14,15);1H3.
What are the key properties of (3-diethylarsanylphenyl) N-methylcarbamate;iodomethane?
(3-diethylarsanylphenyl) N-methylcarbamate;iodomethane has a molecular weight of 425.14 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diethylarsanylphenyl) N-methylcarbamate;iodomethane is sourced from PubChem (CID 23621975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).