sodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate

C16H31NNaO6P — CID 142080817

IUPACsodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate
SMILESCCCCCCCCCCN(O)C(=O)CC(=O)CP(=O)([O-])OCC.[Na+]
InChIInChI=1S/C16H32NO6P.Na/c1-3-5-6-7-8-9-10-11-12-17(20)16(19)13-15(18)14-24(21,22)23-4-2;/h20H,3-14H2,1-2H3,(H,21,22);/q;+1/p-1
InChIKeyDMIDYBTYZDZZIO-UHFFFAOYSA-M
MW387.39 g/mol
LogP-0.10
Rot. Bonds15

About sodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate

sodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate (PubChem CID 142080817) has the molecular formula C16H31NNaO6P and a molecular weight of 387.39 g/mol. Its IUPAC name is sodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate.

Molecular Properties

Compound Namesodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate
PubChem CID142080817
Molecular FormulaC16H31NNaO6P
Molecular Weight387.39 g/mol
Exact Mass387.18
IUPAC Namesodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate
SMILESCCCCCCCCCCN(O)C(=O)CC(=O)CP(=O)([O-])OCC.[Na+]
InChIInChI=1S/C16H32NO6P.Na/c1-3-5-6-7-8-9-10-11-12-17(20)16(19)13-15(18)14-24(21,22)23-4-2;/h20H,3-14H2,1-2H3,(H,21,22);/q;+1/p-1
InChIKeyDMIDYBTYZDZZIO-UHFFFAOYSA-M
XLogP-0.10
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

sodium ethoxy(tridecyl)phosphinate
CID 90661205
disodium carboxymethyl(ethoxy)phosphinate
CID 158502512
N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid
CID 174789202
N-heptyl-N-hydroxyacetamide
CID 71399613
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773
(2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid
CID 122661967
2-dibutoxyphosphoryl-N,N-dioctylacetamide
CID 118060028
disodium;dodecane;hydrogen phosphate;hydrate
CID 172768251
disodium;3-[4-[2-carboxylatoethyl(tridecanoyl)amino]butyl-tridecanoylamino]propanoate
CID 101256932
4-[hydroxy-(2-hydroxyacetyl)amino]butyl hydrogen phosphate
CID 91930183
methyl N-butyl-N-hydroxycarbamate
CID 87729012

Frequently Asked Questions

What is the IUPAC name of sodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate?
The IUPAC name of sodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate (CID 142080817) is sodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate.
What is the SMILES notation for sodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate?
The canonical SMILES for sodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate is CCCCCCCCCCN(O)C(=O)CC(=O)CP(=O)([O-])OCC.[Na+].
What is the InChIKey of sodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate?
The InChIKey is DMIDYBTYZDZZIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H32NO6P.Na/c1-3-5-6-7-8-9-10-11-12-17(20)16(19)13-15(18)14-24(21,22)23-4-2;/h20H,3-14H2,1-2H3,(H,21,22);/q;+1/p-1.
What are the key properties of sodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate?
sodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate has a molecular weight of 387.39 g/mol, XLogP of -0.10, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [4-[decyl(hydroxy)amino]-2,4-dioxobutyl]-ethoxyphosphinate is sourced from PubChem (CID 142080817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).