N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide

C15H21NO3 — CID 107861200

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)C1CCCOC1
InChIInChI=1S/C15H21NO3/c17-10-14(9-12-5-2-1-3-6-12)16-15(18)13-7-4-8-19-11-13/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18)/t13?,14-/m1/s1
InChIKeyRUHMMSONVHHZMS-ARLHGKGLSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds5

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide (PubChem CID 107861200) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
PubChem CID107861200
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)C1CCCOC1
InChIInChI=1S/C15H21NO3/c17-10-14(9-12-5-2-1-3-6-12)16-15(18)13-7-4-8-19-11-13/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18)/t13?,14-/m1/s1
InChIKeyRUHMMSONVHHZMS-ARLHGKGLSA-N
XLogP1.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methyl-3-phenylpropanamide
CID 5459524
methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-3-phenylpropanoate
CID 6636171
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 42364047
(S)-N-(1-Hydroxy-3-phenylpropan-2-yl)acetamide
CID 11492087
2-Amino-N-(1-hydroxymethyl-2-phenyl-ethyl)-3-methyl-butyramide
CID 44373787
(2S)-2-acetamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpentanamide
CID 23585882
N-(2-hydroxy-3-phenylpropyl)cyclohex-3-enecarboxamide
CID 71796880
2-(Oxan-4-YL)-N-(2-phenylethyl)propanamide
CID 91918208
Acetamide, N-[(1R)-1-(hydroxymethyl)-2-phenylethyl]-
CID 18877455
cis-(1S,2R)-2-(2-hydroxyethyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 390029
(2S)-2-(oxolane-3-carbonylamino)-3-phenylpropanoic acid
CID 61271843
N-[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]oxane-3-carboxamide
CID 84585730

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide (CID 107861200) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide is O=C(N[C@@H](CO)Cc1ccccc1)C1CCCOC1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide?
The InChIKey is RUHMMSONVHHZMS-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H21NO3/c17-10-14(9-12-5-2-1-3-6-12)16-15(18)13-7-4-8-19-11-13/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18)/t13?,14-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide is sourced from PubChem (CID 107861200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).