N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide

C10H21NO5 — CID 123850021

IUPACN-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide
SMILESCCC(=O)NCC(O)C(C)C(O)C(O)CO
InChIInChI=1S/C10H21NO5/c1-3-9(15)11-4-7(13)6(2)10(16)8(14)5-12/h6-8,10,12-14,16H,3-5H2,1-2H3,(H,11,15)
InChIKeyALKMLFXJDQLQSS-UHFFFAOYSA-N
MW235.28 g/mol
LogP-1.78
Rot. Bonds7

About N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide

N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide (PubChem CID 123850021) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide.

Molecular Properties

Compound NameN-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide
PubChem CID123850021
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC NameN-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide
SMILESCCC(=O)NCC(O)C(C)C(O)C(O)CO
InChIInChI=1S/C10H21NO5/c1-3-9(15)11-4-7(13)6(2)10(16)8(14)5-12/h6-8,10,12-14,16H,3-5H2,1-2H3,(H,11,15)
InChIKeyALKMLFXJDQLQSS-UHFFFAOYSA-N
XLogP-1.78
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-1.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide?
The IUPAC name of N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide (CID 123850021) is N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide.
What is the SMILES notation for N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide?
The canonical SMILES for N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide is CCC(=O)NCC(O)C(C)C(O)C(O)CO.
What is the InChIKey of N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide?
The InChIKey is ALKMLFXJDQLQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-3-9(15)11-4-7(13)6(2)10(16)8(14)5-12/h6-8,10,12-14,16H,3-5H2,1-2H3,(H,11,15).
What are the key properties of N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide?
N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide has a molecular weight of 235.28 g/mol, XLogP of -1.78, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5,6-tetrahydroxy-3-methylhexyl)propanamide is sourced from PubChem (CID 123850021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).