disodium;2-(hexadecanoylamino)ethyl phosphate

C18H36NNa2O5P — CID 171618393

IUPACdisodium;2-(hexadecanoylamino)ethyl phosphate
SMILESCCCCCCCCCCCCCCCC(=O)NCCOP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C18H38NO5P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17-24-25(21,22)23;;/h2-17H2,1H3,(H,19,20)(H2,21,22,23);;/q;2*+1/p-2
InChIKeyRRLFPRXAOLBENQ-UHFFFAOYSA-L
MW423.44 g/mol
LogP-2.56
Rot. Bonds18

About disodium;2-(hexadecanoylamino)ethyl phosphate

disodium;2-(hexadecanoylamino)ethyl phosphate (PubChem CID 171618393) has the molecular formula C18H36NNa2O5P and a molecular weight of 423.44 g/mol. Its IUPAC name is disodium;2-(hexadecanoylamino)ethyl phosphate.

Molecular Properties

Compound Namedisodium;2-(hexadecanoylamino)ethyl phosphate
PubChem CID171618393
Molecular FormulaC18H36NNa2O5P
Molecular Weight423.44 g/mol
Exact Mass423.21
IUPAC Namedisodium;2-(hexadecanoylamino)ethyl phosphate
SMILESCCCCCCCCCCCCCCCC(=O)NCCOP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C18H38NO5P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17-24-25(21,22)23;;/h2-17H2,1H3,(H,19,20)(H2,21,22,23);;/q;2*+1/p-2
InChIKeyRRLFPRXAOLBENQ-UHFFFAOYSA-L
XLogP-2.56
TPSA101.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 5-2.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
methyl-[6-(pentacosanoylamino)hexoxy]phosphinic acid
CID 167537809
sodium;hydride;N-propyldodecanamide
CID 172999662
(Z)-N-(2-dihydroxyphosphinothioyloxyethyl)octadec-9-enamide
CID 122191542
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyl hydrogen phosphate
CID 56928134
N-hexadecylhexanamide
CID 4953738
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of disodium;2-(hexadecanoylamino)ethyl phosphate?
The IUPAC name of disodium;2-(hexadecanoylamino)ethyl phosphate (CID 171618393) is disodium;2-(hexadecanoylamino)ethyl phosphate.
What is the SMILES notation for disodium;2-(hexadecanoylamino)ethyl phosphate?
The canonical SMILES for disodium;2-(hexadecanoylamino)ethyl phosphate is CCCCCCCCCCCCCCCC(=O)NCCOP(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-(hexadecanoylamino)ethyl phosphate?
The InChIKey is RRLFPRXAOLBENQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H38NO5P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17-24-25(21,22)23;;/h2-17H2,1H3,(H,19,20)(H2,21,22,23);;/q;2*+1/p-2.
What are the key properties of disodium;2-(hexadecanoylamino)ethyl phosphate?
disodium;2-(hexadecanoylamino)ethyl phosphate has a molecular weight of 423.44 g/mol, XLogP of -2.56, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(hexadecanoylamino)ethyl phosphate is sourced from PubChem (CID 171618393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).