disodium;2-(prop-2-enoylamino)tetradecyl phosphate

C17H32NNa2O5P — CID 141476549

IUPACdisodium;2-(prop-2-enoylamino)tetradecyl phosphate
SMILESC=CC(=O)NC(CCCCCCCCCCCC)COP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C17H34NO5P.2Na/c1-3-5-6-7-8-9-10-11-12-13-14-16(18-17(19)4-2)15-23-24(20,21)22;;/h4,16H,2-3,5-15H2,1H3,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2
InChIKeyFNZZZFJYKUMLMJ-UHFFFAOYSA-L
MW407.40 g/mol
LogP-3.18
Rot. Bonds16

About disodium;2-(prop-2-enoylamino)tetradecyl phosphate

disodium;2-(prop-2-enoylamino)tetradecyl phosphate (PubChem CID 141476549) has the molecular formula C17H32NNa2O5P and a molecular weight of 407.40 g/mol. Its IUPAC name is disodium;2-(prop-2-enoylamino)tetradecyl phosphate.

Molecular Properties

Compound Namedisodium;2-(prop-2-enoylamino)tetradecyl phosphate
PubChem CID141476549
Molecular FormulaC17H32NNa2O5P
Molecular Weight407.40 g/mol
Exact Mass407.18
IUPAC Namedisodium;2-(prop-2-enoylamino)tetradecyl phosphate
SMILESC=CC(=O)NC(CCCCCCCCCCCC)COP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C17H34NO5P.2Na/c1-3-5-6-7-8-9-10-11-12-13-14-16(18-17(19)4-2)15-23-24(20,21)22;;/h4,16H,2-3,5-15H2,1H3,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2
InChIKeyFNZZZFJYKUMLMJ-UHFFFAOYSA-L
XLogP-3.18
TPSA101.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 5-3.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-tridecan-5-ylprop-2-enamide
CID 141277245
N-tetradecan-3-ylprop-2-enamide
CID 54185556
sodium 2-(prop-2-enoylamino)decane-1-sulfonate
CID 141391834
2-(prop-2-enoylamino)undecane-1-sulfonic acid
CID 156701088
9-(prop-2-enoylamino)octadecanoic acid
CID 88669538
trimethyl-[3-(prop-2-enoylamino)pentadecyl]azanium
CID 141026004
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
CID 172681063
CID 172681063
sodium 1-(prop-2-enoylamino)tetradecane-1-sulfonate
CID 141482595
potassium N-tetradecan-2-ylprop-2-enamide
CID 150704180
diazanium;[2-(hexadecanoylamino)-3-hydroxyoctadecyl] phosphate
CID 139034384
magnesium 2-decyltetradecyl phosphate
CID 172850772

Frequently Asked Questions

What is the IUPAC name of disodium;2-(prop-2-enoylamino)tetradecyl phosphate?
The IUPAC name of disodium;2-(prop-2-enoylamino)tetradecyl phosphate (CID 141476549) is disodium;2-(prop-2-enoylamino)tetradecyl phosphate.
What is the SMILES notation for disodium;2-(prop-2-enoylamino)tetradecyl phosphate?
The canonical SMILES for disodium;2-(prop-2-enoylamino)tetradecyl phosphate is C=CC(=O)NC(CCCCCCCCCCCC)COP(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-(prop-2-enoylamino)tetradecyl phosphate?
The InChIKey is FNZZZFJYKUMLMJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H34NO5P.2Na/c1-3-5-6-7-8-9-10-11-12-13-14-16(18-17(19)4-2)15-23-24(20,21)22;;/h4,16H,2-3,5-15H2,1H3,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2.
What are the key properties of disodium;2-(prop-2-enoylamino)tetradecyl phosphate?
disodium;2-(prop-2-enoylamino)tetradecyl phosphate has a molecular weight of 407.40 g/mol, XLogP of -3.18, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(prop-2-enoylamino)tetradecyl phosphate is sourced from PubChem (CID 141476549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).