N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide

C37H74N2O4 — CID 102069843

IUPACN-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@@H](O)COCCCCCCCCCCCCC
InChIInChI=1S/C37H74N2O4/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-37(41)38-35(33-39-28-31-42-32-29-39)36(40)34-43-30-26-24-22-20-18-14-12-10-8-6-4-2/h35-36,40H,3-34H2,1-2H3,(H,38,41)/t35-,36+/m1/s1
InChIKeyYZHBOHYNCWVRHR-XDSPJLLDSA-N
MW611.01 g/mol
LogP8.97
Rot. Bonds32

About N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide

N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide (PubChem CID 102069843) has the molecular formula C37H74N2O4 and a molecular weight of 611.01 g/mol. Its IUPAC name is N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide.

Molecular Properties

Compound NameN-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide
PubChem CID102069843
Molecular FormulaC37H74N2O4
Molecular Weight611.01 g/mol
Exact Mass610.56
IUPAC NameN-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@@H](O)COCCCCCCCCCCCCC
InChIInChI=1S/C37H74N2O4/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-37(41)38-35(33-39-28-31-42-32-29-39)36(40)34-43-30-26-24-22-20-18-14-12-10-8-6-4-2/h35-36,40H,3-34H2,1-2H3,(H,38,41)/t35-,36+/m1/s1
InChIKeyYZHBOHYNCWVRHR-XDSPJLLDSA-N
XLogP8.97
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds32
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.01
LogP ≤ 58.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide
CID 11567627
N-[(E,2R,3S)-3-hydroxy-1-morpholin-4-yloctadec-4-en-2-yl]hexadecanamide
CID 10438660
N-[(1R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide;hydrochloride
CID 11957677
N-[(1S,2S)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]hexadecanamide;hydrochloride
CID 133124946
N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide
CID 54327044
N-(2-hydroxy-3-morpholin-4-ylpropyl)pentanamide
CID 110887202
N-(2-morpholin-4-ylethoxy)hexanamide
CID 87298881
[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(heptanoylamino)-3-pyrrolidin-1-ylpropyl] 3-morpholin-4-ylpropanoate
CID 170204308
1-(morpholin-4-ylamino)-3-octoxypropan-2-ol
CID 83022017
2-hexadecanoyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040803
1-butoxy-3-morpholin-4-ylpropane-2-thiol
CID 14937158
morpholin-4-ylmethyl hexadecanoate
CID 86303252

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide?
The IUPAC name of N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide (CID 102069843) is N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide.
What is the SMILES notation for N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide?
The canonical SMILES for N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@@H](O)COCCCCCCCCCCCCC.
What is the InChIKey of N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide?
The InChIKey is YZHBOHYNCWVRHR-XDSPJLLDSA-N. The full InChI is InChI=1S/C37H74N2O4/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-37(41)38-35(33-39-28-31-42-32-29-39)36(40)34-43-30-26-24-22-20-18-14-12-10-8-6-4-2/h35-36,40H,3-34H2,1-2H3,(H,38,41)/t35-,36+/m1/s1.
What are the key properties of N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide?
N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide has a molecular weight of 611.01 g/mol, XLogP of 8.97, 32 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide is sourced from PubChem (CID 102069843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).