N-(2-hydroxypropyl)dodecanamide;phosphoric acid

C15H34NO6P — CID 175492996

IUPACN-(2-hydroxypropyl)dodecanamide;phosphoric acid
SMILESCCCCCCCCCCCC(=O)NCC(C)O.O=P(O)(O)O
InChIInChI=1S/C15H31NO2.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14(2)17;1-5(2,3)4/h14,17H,3-13H2,1-2H3,(H,16,18);(H3,1,2,3,4)
InChIKeyPJAMPTDIXSSKRL-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.48
Rot. Bonds12

About N-(2-hydroxypropyl)dodecanamide;phosphoric acid

N-(2-hydroxypropyl)dodecanamide;phosphoric acid (PubChem CID 175492996) has the molecular formula C15H34NO6P and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(2-hydroxypropyl)dodecanamide;phosphoric acid.

Molecular Properties

Compound NameN-(2-hydroxypropyl)dodecanamide;phosphoric acid
PubChem CID175492996
Molecular FormulaC15H34NO6P
Molecular Weight355.41 g/mol
Exact Mass355.21
IUPAC NameN-(2-hydroxypropyl)dodecanamide;phosphoric acid
SMILESCCCCCCCCCCCC(=O)NCC(C)O.O=P(O)(O)O
InChIInChI=1S/C15H31NO2.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14(2)17;1-5(2,3)4/h14,17H,3-13H2,1-2H3,(H,16,18);(H3,1,2,3,4)
InChIKeyPJAMPTDIXSSKRL-UHFFFAOYSA-N
XLogP2.48
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N,N'-bis(2-hydroxypropyl)octadec-9-enediamide
CID 76514668
N-(2-aminopropyl)octadecanamide
CID 86003506
(12R)-12-hydroxy-N-(2-hydroxypropyl)octadec-9-enamide
CID 54105430
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid
CID 172708754
5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide
CID 107216739
N-(2-chloro-3-methylbutyl)heptanamide
CID 114754075
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid
CID 174874893
N-(2-methylpentyl)hexanamide
CID 173325003
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)dodecanamide;phosphoric acid?
The IUPAC name of N-(2-hydroxypropyl)dodecanamide;phosphoric acid (CID 175492996) is N-(2-hydroxypropyl)dodecanamide;phosphoric acid.
What is the SMILES notation for N-(2-hydroxypropyl)dodecanamide;phosphoric acid?
The canonical SMILES for N-(2-hydroxypropyl)dodecanamide;phosphoric acid is CCCCCCCCCCCC(=O)NCC(C)O.O=P(O)(O)O.
What is the InChIKey of N-(2-hydroxypropyl)dodecanamide;phosphoric acid?
The InChIKey is PJAMPTDIXSSKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14(2)17;1-5(2,3)4/h14,17H,3-13H2,1-2H3,(H,16,18);(H3,1,2,3,4).
What are the key properties of N-(2-hydroxypropyl)dodecanamide;phosphoric acid?
N-(2-hydroxypropyl)dodecanamide;phosphoric acid has a molecular weight of 355.41 g/mol, XLogP of 2.48, 12 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)dodecanamide;phosphoric acid is sourced from PubChem (CID 175492996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).