N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide

C17H34N2O6 — CID 57405064

IUPACN-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCCNC(=O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C17H34N2O6/c1-2-3-4-5-6-7-8-9-14(22)18-10-11-19-17(25)16(24)15(23)13(21)12-20/h13,15-16,20-21,23-24H,2-12H2,1H3,(H,18,22)(H,19,25)/t13-,15-,16-/m1/s1
InChIKeyHKBATPXRIREBKJ-FVQBIDKESA-N
MW362.47 g/mol
LogP-0.57
Rot. Bonds15

About N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide

N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide (PubChem CID 57405064) has the molecular formula C17H34N2O6 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide.

Molecular Properties

Compound NameN-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide
PubChem CID57405064
Molecular FormulaC17H34N2O6
Molecular Weight362.47 g/mol
Exact Mass362.24
IUPAC NameN-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCCNC(=O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C17H34N2O6/c1-2-3-4-5-6-7-8-9-14(22)18-10-11-19-17(25)16(24)15(23)13(21)12-20/h13,15-16,20-21,23-24H,2-12H2,1H3,(H,18,22)(H,19,25)/t13-,15-,16-/m1/s1
InChIKeyHKBATPXRIREBKJ-FVQBIDKESA-N
XLogP-0.57
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 5-0.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide
CID 57405062
(2R,3S,4S)-2,3,4,5-tetrahydroxy-N-octylpentanamide
CID 175982166
(2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide
CID 139749513
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]nonanamide
CID 141113307
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]undecanamide
CID 141113312
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide
CID 141113311
N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 101193409
N-[8-[4-(butylamino)butylamino]-7-[[4-(butylamino)butylamino]methyl]octyl]tridecanamide;12-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]-N-tridecyldodecanamide
CID 158471887
(2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide
CID 141176640
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide
CID 124819757
N-[2-(sulfanylamino)ethyl]heptanamide
CID 123216735

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide?
The IUPAC name of N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide (CID 57405064) is N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide.
What is the SMILES notation for N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide?
The canonical SMILES for N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide is CCCCCCCCCC(=O)NCCNC(=O)[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide?
The InChIKey is HKBATPXRIREBKJ-FVQBIDKESA-N. The full InChI is InChI=1S/C17H34N2O6/c1-2-3-4-5-6-7-8-9-14(22)18-10-11-19-17(25)16(24)15(23)13(21)12-20/h13,15-16,20-21,23-24H,2-12H2,1H3,(H,18,22)(H,19,25)/t13-,15-,16-/m1/s1.
What are the key properties of N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide?
N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide has a molecular weight of 362.47 g/mol, XLogP of -0.57, 15 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide is sourced from PubChem (CID 57405064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).