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

C16H25NO2 — CID 42364081

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
SMILESCCCCCCC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-8-11-16(19)17-15(13-18)12-14-9-6-5-7-10-14/h5-7,9-10,15,18H,2-4,8,11-13H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyHZYSKKBQRBLPQQ-HNNXBMFYSA-N
MW263.38 g/mol
LogP2.68
Rot. Bonds9

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

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide (PubChem CID 42364081) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
PubChem CID42364081
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
SMILESCCCCCCC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-3-4-8-11-16(19)17-15(13-18)12-14-9-6-5-7-10-14/h5-7,9-10,15,18H,2-4,8,11-13H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyHZYSKKBQRBLPQQ-HNNXBMFYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.68
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-[(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]heptanamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide (CID 42364081) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide is CCCCCCC(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide?
The InChIKey is HZYSKKBQRBLPQQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-8-11-16(19)17-15(13-18)12-14-9-6-5-7-10-14/h5-7,9-10,15,18H,2-4,8,11-13H2,1H3,(H,17,19)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide has a molecular weight of 263.38 g/mol, XLogP of 2.68, 9 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]heptanamide is sourced from PubChem (CID 42364081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).