2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate

C24H49NO7 — CID 24760195

IUPAC2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
SMILESCCCCCCCCC(CCCCCC)COC(=O)N(C)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C24H49NO7/c1-4-6-8-10-11-13-15-19(14-12-9-7-5-2)18-32-24(31)25(3)16-20(27)22(29)23(30)21(28)17-26/h19-23,26-30H,4-18H2,1-3H3
InChIKeyTZYKKXBPJKIAOY-UHFFFAOYSA-N
MW463.66 g/mol
LogP2.83
Rot. Bonds20

About 2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate

2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate (PubChem CID 24760195) has the molecular formula C24H49NO7 and a molecular weight of 463.66 g/mol. Its IUPAC name is 2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate.

Molecular Properties

Compound Name2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
PubChem CID24760195
Molecular FormulaC24H49NO7
Molecular Weight463.66 g/mol
Exact Mass463.35
IUPAC Name2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
SMILESCCCCCCCCC(CCCCCC)COC(=O)N(C)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C24H49NO7/c1-4-6-8-10-11-13-15-19(14-12-9-7-5-2)18-32-24(31)25(3)16-20(27)22(29)23(30)21(28)17-26/h19-23,26-30H,4-18H2,1-3H3
InChIKeyTZYKKXBPJKIAOY-UHFFFAOYSA-N
XLogP2.83
TPSA130.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.66
LogP ≤ 52.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)docosyl N,N-dimethylcarbamate
CID 157446903
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
CID 3634985
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
CID 95566073
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
CID 15775348
N-methyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
CID 95566078
N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
CID 98049415
N-methyl-N-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 95566091
2-pentylnonyl N,N-dipropylcarbamate
CID 129131688
[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl] 3-decylpentadecanoate
CID 87784818
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 9,10-dihydroxyoctadecanoate
CID 71547441
[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] 9,10-dihydroxyoctadecanoate;[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 9,10-dihydroxyoctadecanoate
CID 158014556

Frequently Asked Questions

What is the IUPAC name of 2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate?
The IUPAC name of 2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate (CID 24760195) is 2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate.
What is the SMILES notation for 2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate?
The canonical SMILES for 2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate is CCCCCCCCC(CCCCCC)COC(=O)N(C)CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate?
The InChIKey is TZYKKXBPJKIAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO7/c1-4-6-8-10-11-13-15-19(14-12-9-7-5-2)18-32-24(31)25(3)16-20(27)22(29)23(30)21(28)17-26/h19-23,26-30H,4-18H2,1-3H3.
What are the key properties of 2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate?
2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate has a molecular weight of 463.66 g/mol, XLogP of 2.83, 20 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate is sourced from PubChem (CID 24760195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).