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

C12H17NO2 — CID 42364047

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
SMILESCCC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-12(15)13-11(9-14)8-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m0/s1
InChIKeyLIZYDIGOMPEOJF-NSHDSACASA-N
MW207.27 g/mol
LogP1.12
Rot. Bonds5

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

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide (PubChem CID 42364047) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
PubChem CID42364047
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
SMILESCCC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-2-12(15)13-11(9-14)8-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m0/s1
InChIKeyLIZYDIGOMPEOJF-NSHDSACASA-N
XLogP1.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide (CID 42364047) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide is CCC(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide?
The InChIKey is LIZYDIGOMPEOJF-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-12(15)13-11(9-14)8-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide has a molecular weight of 207.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide is sourced from PubChem (CID 42364047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).