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

C17H27NO2 — CID 101078871

IUPACN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-10-13-16(19)18-14(2)17(20)15-11-8-7-9-12-15/h7-9,11-12,14,17,20H,3-6,10,13H2,1-2H3,(H,18,19)/t14-,17-/m0/s1
InChIKeyKDUJQYVMMSBKIZ-YOEHRIQHSA-N
MW277.41 g/mol
LogP3.59
Rot. Bonds9

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

N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide (PubChem CID 101078871) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
PubChem CID101078871
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
SMILESCCCCCCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-10-13-16(19)18-14(2)17(20)15-11-8-7-9-12-15/h7-9,11-12,14,17,20H,3-6,10,13H2,1-2H3,(H,18,19)/t14-,17-/m0/s1
InChIKeyKDUJQYVMMSBKIZ-YOEHRIQHSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.59
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-[(2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 71684357
12-(dimethylamino)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecanamide
CID 71524721
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
[(1R,2S)-2-(dodecanoylamino)-1-phenylpropyl] N-butylcarbamate
CID 101078873
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
(1S,2S)-1-hydroxy-2-methyl-1-phenylnonan-3-one
CID 102384202
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide
CID 71588891
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
(5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide
CID 11543858
[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid
CID 67913525

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide (CID 101078871) is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide is CCCCCCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide?
The InChIKey is KDUJQYVMMSBKIZ-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-4-5-6-10-13-16(19)18-14(2)17(20)15-11-8-7-9-12-15/h7-9,11-12,14,17,20H,3-6,10,13H2,1-2H3,(H,18,19)/t14-,17-/m0/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide?
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide has a molecular weight of 277.41 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide is sourced from PubChem (CID 101078871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).