N,N-diacetylacetamide;trihydrochloride

C6H12Cl3NO3 — CID 173022405

IUPACN,N-diacetylacetamide;trihydrochloride
SMILESCC(=O)N(C(C)=O)C(C)=O.Cl.Cl.Cl
InChIInChI=1S/C6H9NO3.3ClH/c1-4(8)7(5(2)9)6(3)10;;;/h1-3H3;3*1H
InChIKeyPFMVJCRXXHPIAX-UHFFFAOYSA-N
MW252.52 g/mol
LogP1.19
Rot. Bonds

About N,N-diacetylacetamide;trihydrochloride

N,N-diacetylacetamide;trihydrochloride (PubChem CID 173022405) has the molecular formula C6H12Cl3NO3 and a molecular weight of 252.52 g/mol. Its IUPAC name is N,N-diacetylacetamide;trihydrochloride.

Molecular Properties

Compound NameN,N-diacetylacetamide;trihydrochloride
PubChem CID173022405
Molecular FormulaC6H12Cl3NO3
Molecular Weight252.52 g/mol
Exact Mass250.99
IUPAC NameN,N-diacetylacetamide;trihydrochloride
SMILESCC(=O)N(C(C)=O)C(C)=O.Cl.Cl.Cl
InChIInChI=1S/C6H9NO3.3ClH/c1-4(8)7(5(2)9)6(3)10;;;/h1-3H3;3*1H
InChIKeyPFMVJCRXXHPIAX-UHFFFAOYSA-N
XLogP1.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.52
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;N,N-diacetylacetamide;ethane-1,2-diamine
CID 174436185
N-acetyl-N-but-2-en-2-ylacetamide
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CID 22336365
N,N-dimethylacetamide;ethane-1,2-diol
CID 19046924
CID 59957402
CID 59957402
azane;N,N-dimethylacetamide
CID 161145572
ethyl N-acetyl-N-ethoxycarbonylcarbamate
CID 4688283
(diacetylamino)-λ2-stannane
CID 174584376
N,N-dimethanidylacetamide;tungsten(2+)
CID 59567944
N,N-dimethylacetamide;molecular iodine
CID 158534416
lithium;N,N-dimethylacetamide;chloride
CID 87129072
N,N-dimethylacetamide;formaldehyde
CID 54040691

Frequently Asked Questions

What is the IUPAC name of N,N-diacetylacetamide;trihydrochloride?
The IUPAC name of N,N-diacetylacetamide;trihydrochloride (CID 173022405) is N,N-diacetylacetamide;trihydrochloride.
What is the SMILES notation for N,N-diacetylacetamide;trihydrochloride?
The canonical SMILES for N,N-diacetylacetamide;trihydrochloride is CC(=O)N(C(C)=O)C(C)=O.Cl.Cl.Cl.
What is the InChIKey of N,N-diacetylacetamide;trihydrochloride?
The InChIKey is PFMVJCRXXHPIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3.3ClH/c1-4(8)7(5(2)9)6(3)10;;;/h1-3H3;3*1H.
What are the key properties of N,N-diacetylacetamide;trihydrochloride?
N,N-diacetylacetamide;trihydrochloride has a molecular weight of 252.52 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diacetylacetamide;trihydrochloride is sourced from PubChem (CID 173022405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).