N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide

C13H19NO2 — CID 10799021

IUPACN-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)[C@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-12(15)14(3)10(2)13(16)11-8-6-5-7-9-11/h5-10,13,16H,4H2,1-3H3/t10-,13+/m1/s1
InChIKeyNOUIRZGGWSLLAJ-MFKMUULPSA-N
MW221.30 g/mol
LogP1.98
Rot. Bonds4

About N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide

N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide (PubChem CID 10799021) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
PubChem CID10799021
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)[C@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-12(15)14(3)10(2)13(16)11-8-6-5-7-9-11/h5-10,13,16H,4H2,1-3H3/t10-,13+/m1/s1
InChIKeyNOUIRZGGWSLLAJ-MFKMUULPSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The IUPAC name of N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide (CID 10799021) is N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide is CCC(=O)N(C)[C@H](C)[C@H](O)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
The InChIKey is NOUIRZGGWSLLAJ-MFKMUULPSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-12(15)14(3)10(2)13(16)11-8-6-5-7-9-11/h5-10,13,16H,4H2,1-3H3/t10-,13+/m1/s1.
What are the key properties of N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide?
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide is sourced from PubChem (CID 10799021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).