N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide

C17H27NO2 — CID 102673841

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-3-4-5-9-12-17(20)18-16(14-19)13-15-10-7-6-8-11-15/h6-8,10-11,16,19H,2-5,9,12-14H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyRIERWXBVVUYDRM-INIZCTEOSA-N
MW277.41 g/mol
LogP3.07
Rot. Bonds10

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide (PubChem CID 102673841) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
PubChem CID102673841
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-3-4-5-9-12-17(20)18-16(14-19)13-15-10-7-6-8-11-15/h6-8,10-11,16,19H,2-5,9,12-14H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyRIERWXBVVUYDRM-INIZCTEOSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.07
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-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
3-(octanoylamino)-4-phenylbutanoic acid
CID 67920843
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
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
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
5-amino-N-(1-hydroxy-3-phenylpropan-2-yl)hexanamide
CID 82851763
5-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexanamide
CID 107860949
N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 63261276

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide (CID 102673841) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide is CCCCCCCC(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide?
The InChIKey is RIERWXBVVUYDRM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-3-4-5-9-12-17(20)18-16(14-19)13-15-10-7-6-8-11-15/h6-8,10-11,16,19H,2-5,9,12-14H2,1H3,(H,18,20)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide has a molecular weight of 277.41 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide is sourced from PubChem (CID 102673841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).