N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide

C25H43NO2 — CID 15667273

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(28)26-24(22-27)21-23-18-15-14-16-19-23/h14-16,18-19,24,27H,2-13,17,20-22H2,1H3,(H,26,28)/t24-/m1/s1
InChIKeyCGLZACDGQKKGHK-XMMPIXPASA-N
MW389.62 g/mol
LogP6.19
Rot. Bonds18

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide (PubChem CID 15667273) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
PubChem CID15667273
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(28)26-24(22-27)21-23-18-15-14-16-19-23/h14-16,18-19,24,27H,2-13,17,20-22H2,1H3,(H,26,28)/t24-/m1/s1
InChIKeyCGLZACDGQKKGHK-XMMPIXPASA-N
XLogP6.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 56.19
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]octanamide
CID 102673841
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
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-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide (CID 15667273) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide?
The InChIKey is CGLZACDGQKKGHK-XMMPIXPASA-N. The full InChI is InChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(28)26-24(22-27)21-23-18-15-14-16-19-23/h14-16,18-19,24,27H,2-13,17,20-22H2,1H3,(H,26,28)/t24-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide has a molecular weight of 389.62 g/mol, XLogP of 6.19, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide is sourced from PubChem (CID 15667273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).