[3-(butanoylamino)-2-methoxypropyl]-chloromercury

C8H16ClHgNO2 — CID 3029284

IUPAC[3-(butanoylamino)-2-methoxypropyl]-chloromercury
SMILESCCCC(=O)NCC(C[Hg]Cl)OC
InChIInChI=1S/C8H16NO2.ClH.Hg/c1-4-5-8(10)9-6-7(2)11-3;;/h7H,2,4-6H2,1,3H3,(H,9,10);1H;/q;;+1/p-1
InChIKeyXSMMTEAKYDNYFY-UHFFFAOYSA-M
MW394.26 g/mol
LogP1.57
Rot. Bonds7

About [3-(butanoylamino)-2-methoxypropyl]-chloromercury

[3-(butanoylamino)-2-methoxypropyl]-chloromercury (PubChem CID 3029284) has the molecular formula C8H16ClHgNO2 and a molecular weight of 394.26 g/mol. Its IUPAC name is [3-(butanoylamino)-2-methoxypropyl]-chloromercury.

Molecular Properties

Compound Name[3-(butanoylamino)-2-methoxypropyl]-chloromercury
PubChem CID3029284
Molecular FormulaC8H16ClHgNO2
Molecular Weight394.26 g/mol
Exact Mass395.06
IUPAC Name[3-(butanoylamino)-2-methoxypropyl]-chloromercury
SMILESCCCC(=O)NCC(C[Hg]Cl)OC
InChIInChI=1S/C8H16NO2.ClH.Hg/c1-4-5-8(10)9-6-7(2)11-3;;/h7H,2,4-6H2,1,3H3,(H,9,10);1H;/q;;+1/p-1
InChIKeyXSMMTEAKYDNYFY-UHFFFAOYSA-M
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-Acetamido-2-methoxypropyl)chloromercury
CID 3029229
Chloro(3-(2,2-dimethylpropionamido)-2-methoxypropyl)mercury
CID 3029292
Chloro(2-methoxy-3-propionamidopropyl)mercury
CID 3029296
Chloro(2-methoxy-3-valeramidopropyl)mercury
CID 3029297
N-(2-methoxyethyl)butanamide
CID 3613410
N-(2-methoxyethyl)pentanamide
CID 4162939
N-(2-methoxyethyl)-3-methylbutanamide
CID 4370201
N-(2-methoxyethyl)-2-methylbutanamide
CID 4628923
N-(2-propan-2-yloxyethyl)cyclopropanecarboxamide
CID 11355745
N-(3-acetamido-2-methoxypropyl)acetamide
CID 20588187
N-(oxiran-2-ylmethyl)butanamide
CID 21909886
Butanamide, 4-amino-N-(2-methoxyethyl)-
CID 22692133

Frequently Asked Questions

What is the IUPAC name of [3-(butanoylamino)-2-methoxypropyl]-chloromercury?
The IUPAC name of [3-(butanoylamino)-2-methoxypropyl]-chloromercury (CID 3029284) is [3-(butanoylamino)-2-methoxypropyl]-chloromercury.
What is the SMILES notation for [3-(butanoylamino)-2-methoxypropyl]-chloromercury?
The canonical SMILES for [3-(butanoylamino)-2-methoxypropyl]-chloromercury is CCCC(=O)NCC(C[Hg]Cl)OC.
What is the InChIKey of [3-(butanoylamino)-2-methoxypropyl]-chloromercury?
The InChIKey is XSMMTEAKYDNYFY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16NO2.ClH.Hg/c1-4-5-8(10)9-6-7(2)11-3;;/h7H,2,4-6H2,1,3H3,(H,9,10);1H;/q;;+1/p-1.
What are the key properties of [3-(butanoylamino)-2-methoxypropyl]-chloromercury?
[3-(butanoylamino)-2-methoxypropyl]-chloromercury has a molecular weight of 394.26 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(butanoylamino)-2-methoxypropyl]-chloromercury is sourced from PubChem (CID 3029284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).