N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide

C18H21NO2 — CID 15337649

IUPACN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(18(21)16-11-7-4-8-12-16)19(2)17(20)13-15-9-5-3-6-10-15/h3-12,14,18,21H,13H2,1-2H3/t14-,18+/m0/s1
InChIKeyDYCLVCOVNNPANH-KBXCAEBGSA-N
MW283.37 g/mol
LogP2.81
Rot. Bonds5

About N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide

N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide (PubChem CID 15337649) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide
PubChem CID15337649
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(18(21)16-11-7-4-8-12-16)19(2)17(20)13-15-9-5-3-6-10-15/h3-12,14,18,21H,13H2,1-2H3/t14-,18+/m0/s1
InChIKeyDYCLVCOVNNPANH-KBXCAEBGSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.81
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-methyl-2-phenylacetamide?
The IUPAC name of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide (CID 15337649) is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide?
The canonical SMILES for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1ccccc1.
What is the InChIKey of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide?
The InChIKey is DYCLVCOVNNPANH-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(18(21)16-11-7-4-8-12-16)19(2)17(20)13-15-9-5-3-6-10-15/h3-12,14,18,21H,13H2,1-2H3/t14-,18+/m0/s1.
What are the key properties of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide?
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide has a molecular weight of 283.37 g/mol, XLogP of 2.81, 5 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-methyl-2-phenylacetamide is sourced from PubChem (CID 15337649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).