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

C21H42N2O6 — CID 57405062

IUPACN-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCNC(=O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C21H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(26)22-14-15-23-21(29)20(28)19(27)17(25)16-24/h17,19-20,24-25,27-28H,2-16H2,1H3,(H,22,26)(H,23,29)/t17-,19-,20-/m1/s1
InChIKeySFAKXVHMJHDFNO-MISYRCLQSA-N
MW418.58 g/mol
LogP0.99
Rot. Bonds19

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

N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide (PubChem CID 57405062) has the molecular formula C21H42N2O6 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide
PubChem CID57405062
Molecular FormulaC21H42N2O6
Molecular Weight418.58 g/mol
Exact Mass418.30
IUPAC NameN-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCNC(=O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C21H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(26)22-14-15-23-21(29)20(28)19(27)17(25)16-24/h17,19-20,24-25,27-28H,2-16H2,1H3,(H,22,26)(H,23,29)/t17-,19-,20-/m1/s1
InChIKeySFAKXVHMJHDFNO-MISYRCLQSA-N
XLogP0.99
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 50.99
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]decanamide
CID 57405064
(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]tetradecanamide?
The IUPAC name of N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide (CID 57405062) is N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide.
What is the SMILES notation for N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide?
The canonical SMILES for N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide is CCCCCCCCCCCCCC(=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]tetradecanamide?
The InChIKey is SFAKXVHMJHDFNO-MISYRCLQSA-N. The full InChI is InChI=1S/C21H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(26)22-14-15-23-21(29)20(28)19(27)17(25)16-24/h17,19-20,24-25,27-28H,2-16H2,1H3,(H,22,26)(H,23,29)/t17-,19-,20-/m1/s1.
What are the key properties of N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide?
N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide has a molecular weight of 418.58 g/mol, XLogP of 0.99, 19 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]tetradecanamide is sourced from PubChem (CID 57405062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).