ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate

C20H39NO6 — CID 22837681

IUPACethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate
SMILESCCCCCCCCCCCCN(C(=O)OCC)C1OC[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H39NO6/c1-3-5-6-7-8-9-10-11-12-13-14-21(20(25)26-4-2)19-18(24)17(23)16(22)15-27-19/h16-19,22-24H,3-15H2,1-2H3/t16-,17-,18-,19?/m1/s1
InChIKeyQJDOIEUSOTXWLJ-SLZIBOOSSA-N
MW389.53 g/mol
LogP2.80
Rot. Bonds13

About ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate

ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate (PubChem CID 22837681) has the molecular formula C20H39NO6 and a molecular weight of 389.53 g/mol. Its IUPAC name is ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate
PubChem CID22837681
Molecular FormulaC20H39NO6
Molecular Weight389.53 g/mol
Exact Mass389.28
IUPAC Nameethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate
SMILESCCCCCCCCCCCCN(C(=O)OCC)C1OC[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H39NO6/c1-3-5-6-7-8-9-10-11-12-13-14-21(20(25)26-4-2)19-18(24)17(23)16(22)15-27-19/h16-19,22-24H,3-15H2,1-2H3/t16-,17-,18-,19?/m1/s1
InChIKeyQJDOIEUSOTXWLJ-SLZIBOOSSA-N
XLogP2.80
TPSA99.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-octadecyl-N-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]dodecanamide
CID 100968042
N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
CID 168950849
N-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
CID 168950838
1-(4-tert-butylcyclohexyl)ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate
CID 22837679
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
ethyl N-methyl-N-octylcarbamate
CID 15790108
octadecyl N-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-tetradecylcarbamate
CID 67919390
3-(2-chloroethyl)-1-propyl-1-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea
CID 54455417
[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexacosanoate
CID 91258626
ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate
CID 10856641

Frequently Asked Questions

What is the IUPAC name of ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate?
The IUPAC name of ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate (CID 22837681) is ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate.
What is the SMILES notation for ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate?
The canonical SMILES for ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate is CCCCCCCCCCCCN(C(=O)OCC)C1OC[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate?
The InChIKey is QJDOIEUSOTXWLJ-SLZIBOOSSA-N. The full InChI is InChI=1S/C20H39NO6/c1-3-5-6-7-8-9-10-11-12-13-14-21(20(25)26-4-2)19-18(24)17(23)16(22)15-27-19/h16-19,22-24H,3-15H2,1-2H3/t16-,17-,18-,19?/m1/s1.
What are the key properties of ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate?
ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate has a molecular weight of 389.53 g/mol, XLogP of 2.80, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate is sourced from PubChem (CID 22837681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).