disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate

C31H62N2Na2O5 — CID 175796205

IUPACdisodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCCCCCCCCCNCCN(C=O)CCCCCCCCCCCC.[Na+].[Na+]
InChIInChI=1S/C27H56N2O.2C2H4O2.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-28-24-26-29(27-30)25-22-20-18-16-14-12-10-8-6-4-2;2*1-2(3)4;;/h27-28H,3-26H2,1-2H3;2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKeyNBIDSLQIRCCCEL-UHFFFAOYSA-L
MW588.83 g/mol
LogP-0.60
Rot. Bonds26

About disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate

disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate (PubChem CID 175796205) has the molecular formula C31H62N2Na2O5 and a molecular weight of 588.83 g/mol. Its IUPAC name is disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate.

Molecular Properties

Compound Namedisodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate
PubChem CID175796205
Molecular FormulaC31H62N2Na2O5
Molecular Weight588.83 g/mol
Exact Mass588.45
IUPAC Namedisodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCCCCCCCCCNCCN(C=O)CCCCCCCCCCCC.[Na+].[Na+]
InChIInChI=1S/C27H56N2O.2C2H4O2.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-28-24-26-29(27-30)25-22-20-18-16-14-12-10-8-6-4-2;2*1-2(3)4;;/h27-28H,3-26H2,1-2H3;2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKeyNBIDSLQIRCCCEL-UHFFFAOYSA-L
XLogP-0.60
TPSA112.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.83
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-N-dodecylformamide
CID 174803125
N-hexyl-N-octylformamide
CID 169189817
N-butyl-N-octadecylformamide
CID 54030417
disodium;N'-pentylethane-1,2-diamine;propanoate
CID 174680589
N-ethyl-N-hexylformamide
CID 54565973
dihexylcarbamic acid;N-hexylhexan-1-amine
CID 174945078
carbonic acid;N-hexylhexan-1-amine
CID 174995198
2-[3-[butyl(formyl)amino]propylamino]acetic acid
CID 142456634
copper(1+);2-(octylamino)acetate
CID 21278666
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
N,N-didecyl-8-(octylamino)octanamide
CID 172581253

Frequently Asked Questions

What is the IUPAC name of disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate?
The IUPAC name of disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate (CID 175796205) is disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate.
What is the SMILES notation for disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate?
The canonical SMILES for disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate is CC(=O)[O-].CC(=O)[O-].CCCCCCCCCCCCNCCN(C=O)CCCCCCCCCCCC.[Na+].[Na+].
What is the InChIKey of disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate?
The InChIKey is NBIDSLQIRCCCEL-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H56N2O.2C2H4O2.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-28-24-26-29(27-30)25-22-20-18-16-14-12-10-8-6-4-2;2*1-2(3)4;;/h27-28H,3-26H2,1-2H3;2*1H3,(H,3,4);;/q;;;2*+1/p-2.
What are the key properties of disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate?
disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate has a molecular weight of 588.83 g/mol, XLogP of -0.60, 26 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate is sourced from PubChem (CID 175796205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).