sodium N-dodecylcarbamate

C13H26NNaO2 — CID 141389395

IUPACsodium N-dodecylcarbamate
SMILESCCCCCCCCCCCCNC(=O)[O-].[Na+]
InChIInChI=1S/C13H27NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-14-13(15)16;/h14H,2-12H2,1H3,(H,15,16);/q;+1/p-1
InChIKeyHCYWSHCYEUEVRZ-UHFFFAOYSA-M
MW251.35 g/mol
LogP-0.16
Rot. Bonds11

About sodium N-dodecylcarbamate

sodium N-dodecylcarbamate (PubChem CID 141389395) has the molecular formula C13H26NNaO2 and a molecular weight of 251.35 g/mol. Its IUPAC name is sodium N-dodecylcarbamate.

Molecular Properties

Compound Namesodium N-dodecylcarbamate
PubChem CID141389395
Molecular FormulaC13H26NNaO2
Molecular Weight251.35 g/mol
Exact Mass251.19
IUPAC Namesodium N-dodecylcarbamate
SMILESCCCCCCCCCCCCNC(=O)[O-].[Na+]
InChIInChI=1S/C13H27NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-14-13(15)16;/h14H,2-12H2,1H3,(H,15,16);/q;+1/p-1
InChIKeyHCYWSHCYEUEVRZ-UHFFFAOYSA-M
XLogP-0.16
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diheptyloxamide
CID 3417538
N-hexylacetamide
CID 24129
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N-nonadecylacetamide
CID 54574805
1-butyl-3-octylurea
CID 17269600
N-pentadecylacetamide
CID 12009452
4-(hexylamino)-4-oxobutanoate
CID 2192505
4-(octylamino)-4-oxobutanoate
CID 2063454
octylcarbamothioic S-acid
CID 25085683
1-propyl-3-tridecylurea
CID 10934987
N-heptylcarbamoyl fluoride
CID 135303527
N-nonylcarbamoyl chloride
CID 89287231

Frequently Asked Questions

What is the IUPAC name of sodium N-dodecylcarbamate?
The IUPAC name of sodium N-dodecylcarbamate (CID 141389395) is sodium N-dodecylcarbamate.
What is the SMILES notation for sodium N-dodecylcarbamate?
The canonical SMILES for sodium N-dodecylcarbamate is CCCCCCCCCCCCNC(=O)[O-].[Na+].
What is the InChIKey of sodium N-dodecylcarbamate?
The InChIKey is HCYWSHCYEUEVRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H27NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-14-13(15)16;/h14H,2-12H2,1H3,(H,15,16);/q;+1/p-1.
What are the key properties of sodium N-dodecylcarbamate?
sodium N-dodecylcarbamate has a molecular weight of 251.35 g/mol, XLogP of -0.16, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-dodecylcarbamate is sourced from PubChem (CID 141389395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).