N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide

C9H19NO4 — CID 123622831

IUPACN-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide
SMILESCCC(CO)C(O)C(O)CNC(C)=O
InChIInChI=1S/C9H19NO4/c1-3-7(5-11)9(14)8(13)4-10-6(2)12/h7-9,11,13-14H,3-5H2,1-2H3,(H,10,12)
InChIKeyMQCYCYBGCNMKJL-UHFFFAOYSA-N
MW205.25 g/mol
LogP-1.14
Rot. Bonds6

About N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide

N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide (PubChem CID 123622831) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide
PubChem CID123622831
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide
SMILESCCC(CO)C(O)C(O)CNC(C)=O
InChIInChI=1S/C9H19NO4/c1-3-7(5-11)9(14)8(13)4-10-6(2)12/h7-9,11,13-14H,3-5H2,1-2H3,(H,10,12)
InChIKeyMQCYCYBGCNMKJL-UHFFFAOYSA-N
XLogP-1.14
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658528
N-(2,3-dihydroxybutyl)acetamide
CID 91533638
(3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide
CID 160566842
(3S,4S)-3-hydroxy-4-(hydroxymethyl)hexan-2-one
CID 126670723
N-(3-hydroxy-2-sulfanylpropyl)acetamide
CID 145429936
N-(3-ethyl-2-hydroxypentyl)-3-methylbut-2-enamide
CID 103770596
4-acetamido-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103658545
4-[(3-ethyl-2-hydroxypentyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 114168261
N-(2,3-dihydroxyhex-5-enyl)acetamide
CID 174926163
ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide
CID 145429935
N-[(2R)-2-acetamidobutyl]acetamide
CID 102008964
N-(2-acetamidobutyl)acetamide
CID 547374

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide (CID 123622831) is N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide is CCC(CO)C(O)C(O)CNC(C)=O.
What is the InChIKey of N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide?
The InChIKey is MQCYCYBGCNMKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-7(5-11)9(14)8(13)4-10-6(2)12/h7-9,11,13-14H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide?
N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide has a molecular weight of 205.25 g/mol, XLogP of -1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide is sourced from PubChem (CID 123622831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).