sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride

C16H30NNaO4 — CID 174049590

IUPACsodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride
SMILESCCCCCCCC=CCN(OC(=O)CC)OC(=O)CC.[H-].[Na+]
InChIInChI=1S/C16H29NO4.Na.H/c1-4-7-8-9-10-11-12-13-14-17(20-15(18)5-2)21-16(19)6-3;;/h12-13H,4-11,14H2,1-3H3;;/q;+1;-1
InChIKeyPRCSCZQFUDVFBG-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.06
Rot. Bonds12

About sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride

sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride (PubChem CID 174049590) has the molecular formula C16H30NNaO4 and a molecular weight of 323.41 g/mol. Its IUPAC name is sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride.

Molecular Properties

Compound Namesodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride
PubChem CID174049590
Molecular FormulaC16H30NNaO4
Molecular Weight323.41 g/mol
Exact Mass323.21
IUPAC Namesodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride
SMILESCCCCCCCC=CCN(OC(=O)CC)OC(=O)CC.[H-].[Na+]
InChIInChI=1S/C16H29NO4.Na.H/c1-4-7-8-9-10-11-12-13-14-17(20-15(18)5-2)21-16(19)6-3;;/h12-13H,4-11,14H2,1-3H3;;/q;+1;-1
InChIKeyPRCSCZQFUDVFBG-UHFFFAOYSA-N
XLogP1.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

disodium;hydride;[(Z)-octadec-9-enoyl] (Z)-octadec-9-enoate
CID 173022555
sodium;hydride;octadec-9-enoyl octadec-9-enoate
CID 173290321
[dodecyl(propanoyloxy)amino] propanoate
CID 87471724
[octyl(propanoyloxy)amino] propanoate
CID 87337944
[(E)-dec-3-enyl] propanoate
CID 45142124
dilithium;hydride;[(Z)-octadec-9-enoyl] (Z)-octadec-9-enoate
CID 174850979
[(Z)-dec-3-enyl] propanoate
CID 129170896
[(E)-hexadec-5-enyl] propanoate
CID 23434883
[(Z)-octadec-9-enoyl] pentacosanoate
CID 170168004
hexadecanoyl octadec-9-enoate
CID 54275429
[(Z)-hexadec-9-enoyl] hexadec-9-enoate
CID 173136221
disodium;hydride;(Z)-octadec-9-ene
CID 173005527

Frequently Asked Questions

What is the IUPAC name of sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride?
The IUPAC name of sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride (CID 174049590) is sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride.
What is the SMILES notation for sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride?
The canonical SMILES for sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride is CCCCCCCC=CCN(OC(=O)CC)OC(=O)CC.[H-].[Na+].
What is the InChIKey of sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride?
The InChIKey is PRCSCZQFUDVFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4.Na.H/c1-4-7-8-9-10-11-12-13-14-17(20-15(18)5-2)21-16(19)6-3;;/h12-13H,4-11,14H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride?
sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride has a molecular weight of 323.41 g/mol, XLogP of 1.06, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[dec-2-enyl(propanoyloxy)amino] propanoate;hydride is sourced from PubChem (CID 174049590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).