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

C12H17NO2 — CID 11344789

IUPACN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(13(3)10(2)14)12(15)11-7-5-4-6-8-11/h4-9,12,15H,1-3H3/t9-,12+/m0/s1
InChIKeyZZGMTCKULVMTDB-JOYOIKCWSA-N
MW207.27 g/mol
LogP1.59
Rot. Bonds3

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

N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide (PubChem CID 11344789) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
PubChem CID11344789
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(13(3)10(2)14)12(15)11-7-5-4-6-8-11/h4-9,12,15H,1-3H3/t9-,12+/m0/s1
InChIKeyZZGMTCKULVMTDB-JOYOIKCWSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.59
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-methylacetamide?
The IUPAC name of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide (CID 11344789) is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The canonical SMILES for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide is CC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
The InChIKey is ZZGMTCKULVMTDB-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(13(3)10(2)14)12(15)11-7-5-4-6-8-11/h4-9,12,15H,1-3H3/t9-,12+/m0/s1.
What are the key properties of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide?
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide has a molecular weight of 207.27 g/mol, XLogP of 1.59, 3 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-methylacetamide is sourced from PubChem (CID 11344789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).