N-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide

C19H37NO4 — CID 87416205

IUPACN-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide
SMILESCCCCCCCC(=O)C(CCCCCC)C(=O)NC(C)(O)CO
InChIInChI=1S/C19H37NO4/c1-4-6-8-10-12-14-17(22)16(13-11-9-7-5-2)18(23)20-19(3,24)15-21/h16,21,24H,4-15H2,1-3H3,(H,20,23)
InChIKeyGJGJROWYIOPAIR-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.32
Rot. Bonds15

About N-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide

N-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide (PubChem CID 87416205) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is N-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide.

Molecular Properties

Compound NameN-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide
PubChem CID87416205
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC NameN-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide
SMILESCCCCCCCC(=O)C(CCCCCC)C(=O)NC(C)(O)CO
InChIInChI=1S/C19H37NO4/c1-4-6-8-10-12-14-17(22)16(13-11-9-7-5-2)18(23)20-19(3,24)15-21/h16,21,24H,4-15H2,1-3H3,(H,20,23)
InChIKeyGJGJROWYIOPAIR-UHFFFAOYSA-N
XLogP3.32
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide?
The IUPAC name of N-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide (CID 87416205) is N-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide.
What is the SMILES notation for N-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide?
The canonical SMILES for N-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide is CCCCCCCC(=O)C(CCCCCC)C(=O)NC(C)(O)CO.
What is the InChIKey of N-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide?
The InChIKey is GJGJROWYIOPAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-4-6-8-10-12-14-17(22)16(13-11-9-7-5-2)18(23)20-19(3,24)15-21/h16,21,24H,4-15H2,1-3H3,(H,20,23).
What are the key properties of N-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide?
N-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide has a molecular weight of 343.51 g/mol, XLogP of 3.32, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide is sourced from PubChem (CID 87416205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).