N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide

C14H29NO4 — CID 101140783

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-9-13(19)15-14(10-16,11-17)12-18/h16-18H,2-12H2,1H3,(H,15,19)
InChIKeyBNFFNGBPPGRWGK-UHFFFAOYSA-N
MW275.39 g/mol
LogP0.96
Rot. Bonds12

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide (PubChem CID 101140783) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide
PubChem CID101140783
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-9-13(19)15-14(10-16,11-17)12-18/h16-18H,2-12H2,1H3,(H,15,19)
InChIKeyBNFFNGBPPGRWGK-UHFFFAOYSA-N
XLogP0.96
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Stearamide AMP
CID 13410460
Dodecanamide, N-(tris(hydroxymethyl)methyl)-
CID 45928
N-(1-hydroxy-2-methylpropan-2-yl)hexadecanamide
CID 13932047
N-Decanoyl-2-amino-2-methylpropanol
CID 3015818
Octadecanamide, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-
CID 110194
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]tetradecanamide
CID 5001510
N-(1,1-Bis(hydroxymethyl)propyl)stearamide
CID 3015603
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 3089777
N-(1,3-dihydroxy-2-methylpropan-2-yl)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanamide
CID 122698204
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 141044973
N-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide
CID 175460951
N-nonanoylserinol
CID 65312811

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide (CID 101140783) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide is CCCCCCCCCC(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide?
The InChIKey is BNFFNGBPPGRWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-9-13(19)15-14(10-16,11-17)12-18/h16-18H,2-12H2,1H3,(H,15,19).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide has a molecular weight of 275.39 g/mol, XLogP of 0.96, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]decanamide is sourced from PubChem (CID 101140783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).