N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide

C13H17NO2 — CID 11413337

IUPACN-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-4-12(15)14(3)10(2)13(16)11-8-6-5-7-9-11/h4-10,13,16H,1H2,2-3H3/t10-,13-/m1/s1
InChIKeyVSGNSQQWOOSGJC-ZWNOBZJWSA-N
MW219.28 g/mol
LogP1.75
Rot. Bonds4

About N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide

N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide (PubChem CID 11413337) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
PubChem CID11413337
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-4-12(15)14(3)10(2)13(16)11-8-6-5-7-9-11/h4-10,13,16H,1H2,2-3H3/t10-,13-/m1/s1
InChIKeyVSGNSQQWOOSGJC-ZWNOBZJWSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide?
The IUPAC name of N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide (CID 11413337) is N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide?
The canonical SMILES for N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide is C=CC(=O)N(C)[C@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide?
The InChIKey is VSGNSQQWOOSGJC-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-12(15)14(3)10(2)13(16)11-8-6-5-7-9-11/h4-10,13,16H,1H2,2-3H3/t10-,13-/m1/s1.
What are the key properties of N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide?
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 11413337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).