(3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide

C25H50N2O3 — CID 91135893

IUPAC(3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide
SMILESCCCCCCCCCCC[C@@H](O)CC(=O)NC(CCCC=O)CNCCCCC
InChIInChI=1S/C25H50N2O3/c1-3-5-7-8-9-10-11-12-13-18-24(29)21-25(30)27-23(17-14-16-20-28)22-26-19-15-6-4-2/h20,23-24,26,29H,3-19,21-22H2,1-2H3,(H,27,30)/t23?,24-/m1/s1
InChIKeyOLOKTNAPBKPDQQ-XMMISQBUSA-N
MW426.69 g/mol
LogP5.29
Rot. Bonds23

About (3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide

(3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide (PubChem CID 91135893) has the molecular formula C25H50N2O3 and a molecular weight of 426.69 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide
PubChem CID91135893
Molecular FormulaC25H50N2O3
Molecular Weight426.69 g/mol
Exact Mass426.38
IUPAC Name(3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide
SMILESCCCCCCCCCCC[C@@H](O)CC(=O)NC(CCCC=O)CNCCCCC
InChIInChI=1S/C25H50N2O3/c1-3-5-7-8-9-10-11-12-13-18-24(29)21-25(30)27-23(17-14-16-20-28)22-26-19-15-6-4-2/h20,23-24,26,29H,3-19,21-22H2,1-2H3,(H,27,30)/t23?,24-/m1/s1
InChIKeyOLOKTNAPBKPDQQ-XMMISQBUSA-N
XLogP5.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.69
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
3-hydroxy-N-octadecan-2-ylhexadecanamide
CID 174499474
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
butanedioic acid;1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol
CID 21332461
3-hydroxy-4-(octadecylamino)butanoic acid
CID 87708231
N-(1-anilino-1-oxononan-3-yl)-11-hydroxy-12-(octylamino)dodecanamide
CID 67662499
1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol;bis(2-hydroxypropanoic acid)
CID 159703654
3-methyl-N-(1-oxohexan-3-yl)octanamide
CID 170597956
(Z)-N-(1,3-dihydroxypentadecan-2-yl)-3-hydroxyhexadec-7-enamide
CID 138234671
(7R)-18-(heptadecylamino)octadecan-7-ol
CID 88529231

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide?
The IUPAC name of (3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide (CID 91135893) is (3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide?
The canonical SMILES for (3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide is CCCCCCCCCCC[C@@H](O)CC(=O)NC(CCCC=O)CNCCCCC.
What is the InChIKey of (3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide?
The InChIKey is OLOKTNAPBKPDQQ-XMMISQBUSA-N. The full InChI is InChI=1S/C25H50N2O3/c1-3-5-7-8-9-10-11-12-13-18-24(29)21-25(30)27-23(17-14-16-20-28)22-26-19-15-6-4-2/h20,23-24,26,29H,3-19,21-22H2,1-2H3,(H,27,30)/t23?,24-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide?
(3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide has a molecular weight of 426.69 g/mol, XLogP of 5.29, 23 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[6-oxo-1-(pentylamino)hexan-2-yl]tetradecanamide is sourced from PubChem (CID 91135893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).