N-propan-2-ylpropanamide;dihydrochloride

C6H15Cl2NO — CID 172679019

IUPACN-propan-2-ylpropanamide;dihydrochloride
SMILESCCC(=O)NC(C)C.Cl.Cl
InChIInChI=1S/C6H13NO.2ClH/c1-4-6(8)7-5(2)3;;/h5H,4H2,1-3H3,(H,7,8);2*1H
InChIKeyADFMGHVKKHSTFZ-UHFFFAOYSA-N
MW188.10 g/mol
LogP1.76
Rot. Bonds2

About N-propan-2-ylpropanamide;dihydrochloride

N-propan-2-ylpropanamide;dihydrochloride (PubChem CID 172679019) has the molecular formula C6H15Cl2NO and a molecular weight of 188.10 g/mol. Its IUPAC name is N-propan-2-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-propan-2-ylpropanamide;dihydrochloride
PubChem CID172679019
Molecular FormulaC6H15Cl2NO
Molecular Weight188.10 g/mol
Exact Mass187.05
IUPAC NameN-propan-2-ylpropanamide;dihydrochloride
SMILESCCC(=O)NC(C)C.Cl.Cl
InChIInChI=1S/C6H13NO.2ClH/c1-4-6(8)7-5(2)3;;/h5H,4H2,1-3H3,(H,7,8);2*1H
InChIKeyADFMGHVKKHSTFZ-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide
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ethane;N-propan-2-ylbutanamide
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N-(1-sulfanylethyl)propanamide
CID 22119628
3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide
CID 142455323
N-(3-oxobutan-2-yl)propanamide
CID 22943760
N,N'-di(propan-2-yl)decanediamide
CID 58997511
sodium 2-oxo-2-(propan-2-ylamino)ethanolate
CID 122705182
4-methyl-3-oxo-N-propan-2-ylpentanamide
CID 59848448
3,3-dimethyl-N-propan-2-ylpentanamide
CID 89006014
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
3-methyl-N-propan-2-ylbut-3-enamide
CID 59532905

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpropanamide;dihydrochloride?
The IUPAC name of N-propan-2-ylpropanamide;dihydrochloride (CID 172679019) is N-propan-2-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-propan-2-ylpropanamide;dihydrochloride?
The canonical SMILES for N-propan-2-ylpropanamide;dihydrochloride is CCC(=O)NC(C)C.Cl.Cl.
What is the InChIKey of N-propan-2-ylpropanamide;dihydrochloride?
The InChIKey is ADFMGHVKKHSTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.2ClH/c1-4-6(8)7-5(2)3;;/h5H,4H2,1-3H3,(H,7,8);2*1H.
What are the key properties of N-propan-2-ylpropanamide;dihydrochloride?
N-propan-2-ylpropanamide;dihydrochloride has a molecular weight of 188.10 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpropanamide;dihydrochloride is sourced from PubChem (CID 172679019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).