N-(4,4-dihydroxybutyl)decanamide

C14H29NO3 — CID 163472337

IUPACN-(4,4-dihydroxybutyl)decanamide
SMILESCCCCCCCCCC(=O)NCCCC(O)O
InChIInChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(17)18/h14,17-18H,2-12H2,1H3,(H,15,16)
InChIKeyBXOBWQUPLAVTPO-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.33
Rot. Bonds12

About N-(4,4-dihydroxybutyl)decanamide

N-(4,4-dihydroxybutyl)decanamide (PubChem CID 163472337) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(4,4-dihydroxybutyl)decanamide.

Molecular Properties

Compound NameN-(4,4-dihydroxybutyl)decanamide
PubChem CID163472337
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC NameN-(4,4-dihydroxybutyl)decanamide
SMILESCCCCCCCCCC(=O)NCCCC(O)O
InChIInChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(17)18/h14,17-18H,2-12H2,1H3,(H,15,16)
InChIKeyBXOBWQUPLAVTPO-UHFFFAOYSA-N
XLogP2.33
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dihydroxybutyl)decanamide?
The IUPAC name of N-(4,4-dihydroxybutyl)decanamide (CID 163472337) is N-(4,4-dihydroxybutyl)decanamide.
What is the SMILES notation for N-(4,4-dihydroxybutyl)decanamide?
The canonical SMILES for N-(4,4-dihydroxybutyl)decanamide is CCCCCCCCCC(=O)NCCCC(O)O.
What is the InChIKey of N-(4,4-dihydroxybutyl)decanamide?
The InChIKey is BXOBWQUPLAVTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(17)18/h14,17-18H,2-12H2,1H3,(H,15,16).
What are the key properties of N-(4,4-dihydroxybutyl)decanamide?
N-(4,4-dihydroxybutyl)decanamide has a molecular weight of 259.39 g/mol, XLogP of 2.33, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dihydroxybutyl)decanamide is sourced from PubChem (CID 163472337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).