disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate)

C32H58N2Na2O6 — CID 175790751

IUPACdisodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate)
SMILESC=CC(=O)[O-].C=CC(=O)[O-].CCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC.[Na+].[Na+]
InChIInChI=1S/C26H52N2O2.2C3H4O2.2Na/c1-3-5-7-9-11-13-15-17-19-21-25(29)27-23-24-28-26(30)22-20-18-16-14-12-10-8-6-4-2;2*1-2-3(4)5;;/h3-24H2,1-2H3,(H,27,29)(H,28,30);2*2H,1H2,(H,4,5);;/q;;;2*+1/p-2
InChIKeyFYPNBOWOILMEHH-UHFFFAOYSA-L
MW612.80 g/mol
LogP-1.09
Rot. Bonds25

About disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate)

disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate) (PubChem CID 175790751) has the molecular formula C32H58N2Na2O6 and a molecular weight of 612.80 g/mol. Its IUPAC name is disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate).

Molecular Properties

Compound Namedisodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate)
PubChem CID175790751
Molecular FormulaC32H58N2Na2O6
Molecular Weight612.80 g/mol
Exact Mass612.41
IUPAC Namedisodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate)
SMILESC=CC(=O)[O-].C=CC(=O)[O-].CCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC.[Na+].[Na+]
InChIInChI=1S/C26H52N2O2.2C3H4O2.2Na/c1-3-5-7-9-11-13-15-17-19-21-25(29)27-23-24-28-26(30)22-20-18-16-14-12-10-8-6-4-2;2*1-2-3(4)5;;/h3-24H2,1-2H3,(H,27,29)(H,28,30);2*2H,1H2,(H,4,5);;/q;;;2*+1/p-2
InChIKeyFYPNBOWOILMEHH-UHFFFAOYSA-L
XLogP-1.09
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.80
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
sodium;hydride;N-propyldodecanamide
CID 172999662
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-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214

Frequently Asked Questions

What is the IUPAC name of disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate)?
The IUPAC name of disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate) (CID 175790751) is disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate).
What is the SMILES notation for disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate)?
The canonical SMILES for disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate) is C=CC(=O)[O-].C=CC(=O)[O-].CCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC.[Na+].[Na+].
What is the InChIKey of disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate)?
The InChIKey is FYPNBOWOILMEHH-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H52N2O2.2C3H4O2.2Na/c1-3-5-7-9-11-13-15-17-19-21-25(29)27-23-24-28-26(30)22-20-18-16-14-12-10-8-6-4-2;2*1-2-3(4)5;;/h3-24H2,1-2H3,(H,27,29)(H,28,30);2*2H,1H2,(H,4,5);;/q;;;2*+1/p-2.
What are the key properties of disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate)?
disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate) has a molecular weight of 612.80 g/mol, XLogP of -1.09, 25 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate) is sourced from PubChem (CID 175790751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).