(5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide

C18H29NO2 — CID 11543858

IUPAC(5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide
SMILESCCCCC[C@@H](O)CCCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-3-4-6-12-17(20)13-9-14-18(21)19-15(2)16-10-7-5-8-11-16/h5,7-8,10-11,15,17,20H,3-4,6,9,12-14H2,1-2H3,(H,19,21)/t15-,17+/m0/s1
InChIKeyPEEOVRXPVOXBBJ-DOTOQJQBSA-N
MW291.44 g/mol
LogP3.98
Rot. Bonds10

About (5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide

(5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide (PubChem CID 11543858) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide.

Molecular Properties

Compound Name(5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide
PubChem CID11543858
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide
SMILESCCCCC[C@@H](O)CCCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-3-4-6-12-17(20)13-9-14-18(21)19-15(2)16-10-7-5-8-11-16/h5,7-8,10-11,15,17,20H,3-4,6,9,12-14H2,1-2H3,(H,19,21)/t15-,17+/m0/s1
InChIKeyPEEOVRXPVOXBBJ-DOTOQJQBSA-N
XLogP3.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide
CID 71588891
2-pentyl-N,N'-bis(1-phenylethyl)propanediamide
CID 4295925
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
CID 101078871
N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 71684357
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)phenyl]octadecanamide
CID 70182552
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide?
The IUPAC name of (5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide (CID 11543858) is (5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide.
What is the SMILES notation for (5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide?
The canonical SMILES for (5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide is CCCCC[C@@H](O)CCCC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of (5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide?
The InChIKey is PEEOVRXPVOXBBJ-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-4-6-12-17(20)13-9-14-18(21)19-15(2)16-10-7-5-8-11-16/h5,7-8,10-11,15,17,20H,3-4,6,9,12-14H2,1-2H3,(H,19,21)/t15-,17+/m0/s1.
What are the key properties of (5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide?
(5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide has a molecular weight of 291.44 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide is sourced from PubChem (CID 11543858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).