acetamide;pentanamide;dihydrochloride

C7H18Cl2N2O2 — CID 141201232

IUPACacetamide;pentanamide;dihydrochloride
SMILESCC(N)=O.CCCCC(N)=O.Cl.Cl
InChIInChI=1S/C5H11NO.C2H5NO.2ClH/c1-2-3-4-5(6)7;1-2(3)4;;/h2-4H2,1H3,(H2,6,7);1H3,(H2,3,4);2*1H
InChIKeyCQNKGFFHFHNGLE-UHFFFAOYSA-N
MW233.14 g/mol
LogP1.00
Rot. Bonds3

About acetamide;pentanamide;dihydrochloride

acetamide;pentanamide;dihydrochloride (PubChem CID 141201232) has the molecular formula C7H18Cl2N2O2 and a molecular weight of 233.14 g/mol. Its IUPAC name is acetamide;pentanamide;dihydrochloride.

Molecular Properties

Compound Nameacetamide;pentanamide;dihydrochloride
PubChem CID141201232
Molecular FormulaC7H18Cl2N2O2
Molecular Weight233.14 g/mol
Exact Mass232.07
IUPAC Nameacetamide;pentanamide;dihydrochloride
SMILESCC(N)=O.CCCCC(N)=O.Cl.Cl
InChIInChI=1S/C5H11NO.C2H5NO.2ClH/c1-2-3-4-5(6)7;1-2(3)4;;/h2-4H2,1H3,(H2,6,7);1H3,(H2,3,4);2*1H
InChIKeyCQNKGFFHFHNGLE-UHFFFAOYSA-N
XLogP1.00
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetamide;pentanamide
CID 158041283
acetamide;decanamide;dihydrochloride
CID 141131942
octadecanamide;hydrochloride
CID 87891779
butanamide;hexan-2-one;propane
CID 145305673
nonacosanamide
CID 21105912
tetradecanamide
CID 175692014
CID 87899207
CID 87899207
tetrapentacontanamide
CID 139682680
potassium;hexanamide;hydride
CID 173117462
butane;octanamide
CID 87511414
octadecanamide;zinc
CID 87169213
pentanoic acid;urea;hydrochloride
CID 174794672

Frequently Asked Questions

What is the IUPAC name of acetamide;pentanamide;dihydrochloride?
The IUPAC name of acetamide;pentanamide;dihydrochloride (CID 141201232) is acetamide;pentanamide;dihydrochloride.
What is the SMILES notation for acetamide;pentanamide;dihydrochloride?
The canonical SMILES for acetamide;pentanamide;dihydrochloride is CC(N)=O.CCCCC(N)=O.Cl.Cl.
What is the InChIKey of acetamide;pentanamide;dihydrochloride?
The InChIKey is CQNKGFFHFHNGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H5NO.2ClH/c1-2-3-4-5(6)7;1-2(3)4;;/h2-4H2,1H3,(H2,6,7);1H3,(H2,3,4);2*1H.
What are the key properties of acetamide;pentanamide;dihydrochloride?
acetamide;pentanamide;dihydrochloride has a molecular weight of 233.14 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;pentanamide;dihydrochloride is sourced from PubChem (CID 141201232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).