N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide

C24H40N2O3 — CID 11567627

IUPACN-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@@H](CN1CCOCC1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C24H40N2O3/c1-2-3-4-5-6-7-11-14-24(28)25-22(20-26-15-17-29-18-16-26)23(27)19-21-12-9-8-10-13-21/h8-10,12-13,22-23,27H,2-7,11,14-20H2,1H3,(H,25,28)/t22-,23-/m0/s1
InChIKeyQLAKYDZXVRVJAP-GOTSBHOMSA-N
MW404.60 g/mol
LogP3.55
Rot. Bonds14

About N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide

N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide (PubChem CID 11567627) has the molecular formula C24H40N2O3 and a molecular weight of 404.60 g/mol. Its IUPAC name is N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide
PubChem CID11567627
Molecular FormulaC24H40N2O3
Molecular Weight404.60 g/mol
Exact Mass404.30
IUPAC NameN-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@@H](CN1CCOCC1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C24H40N2O3/c1-2-3-4-5-6-7-11-14-24(28)25-22(20-26-15-17-29-18-16-26)23(27)19-21-12-9-8-10-13-21/h8-10,12-13,22-23,27H,2-7,11,14-20H2,1H3,(H,25,28)/t22-,23-/m0/s1
InChIKeyQLAKYDZXVRVJAP-GOTSBHOMSA-N
XLogP3.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[(2R,3R)-3-hydroxy-1-morpholin-4-yl-4-tridecoxybutan-2-yl]hexadecanamide
CID 102069843
N-[(E,2R,3S)-3-hydroxy-1-morpholin-4-yloctadec-4-en-2-yl]hexadecanamide
CID 10438660
N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide
CID 54327044
N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]octanamide
CID 59530793
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide?
The IUPAC name of N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide (CID 11567627) is N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide.
What is the SMILES notation for N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide?
The canonical SMILES for N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide is CCCCCCCCCC(=O)N[C@@H](CN1CCOCC1)[C@@H](O)Cc1ccccc1.
What is the InChIKey of N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide?
The InChIKey is QLAKYDZXVRVJAP-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H40N2O3/c1-2-3-4-5-6-7-11-14-24(28)25-22(20-26-15-17-29-18-16-26)23(27)19-21-12-9-8-10-13-21/h8-10,12-13,22-23,27H,2-7,11,14-20H2,1H3,(H,25,28)/t22-,23-/m0/s1.
What are the key properties of N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide?
N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide has a molecular weight of 404.60 g/mol, XLogP of 3.55, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-hydroxy-1-morpholin-4-yl-4-phenylbutan-2-yl]decanamide is sourced from PubChem (CID 11567627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).