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

C16H25NO2 — CID 135079184

IUPACN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)CC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-12(15(19)13-9-7-6-8-10-13)17(5)14(18)11-16(2,3)4/h6-10,12,15,19H,11H2,1-5H3/t12-,15+/m0/s1
InChIKeyHORQHZQDGRNXLV-SWLSCSKDSA-N
MW263.38 g/mol
LogP3.00
Rot. Bonds4

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

N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide (PubChem CID 135079184) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide
PubChem CID135079184
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)CC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-12(15(19)13-9-7-6-8-10-13)17(5)14(18)11-16(2,3)4/h6-10,12,15,19H,11H2,1-5H3/t12-,15+/m0/s1
InChIKeyHORQHZQDGRNXLV-SWLSCSKDSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide?
The IUPAC name of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide (CID 135079184) is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide?
The canonical SMILES for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)CC(C)(C)C.
What is the InChIKey of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide?
The InChIKey is HORQHZQDGRNXLV-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(15(19)13-9-7-6-8-10-13)17(5)14(18)11-16(2,3)4/h6-10,12,15,19H,11H2,1-5H3/t12-,15+/m0/s1.
What are the key properties of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide?
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 135079184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).