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

C15H21NO3 — CID 107861447

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-11-7-8-19-14(11)15(18)16-13(10-17)9-12-5-3-2-4-6-12/h2-6,11,13-14,17H,7-10H2,1H3,(H,16,18)/t11?,13-,14?/m1/s1
InChIKeyKLCYPUWCUMEVTJ-HRDQMINSSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds5

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

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide (PubChem CID 107861447) 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]-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide
PubChem CID107861447
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-11-7-8-19-14(11)15(18)16-13(10-17)9-12-5-3-2-4-6-12/h2-6,11,13-14,17H,7-10H2,1H3,(H,16,18)/t11?,13-,14?/m1/s1
InChIKeyKLCYPUWCUMEVTJ-HRDQMINSSA-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

(2R)-2-[(3-methyloxolane-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104901954
N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide
CID 81329667
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779429
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
CID 107861200
N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide
CID 114300283
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide
CID 107863083
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 91661831
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide (CID 107861447) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide?
The InChIKey is KLCYPUWCUMEVTJ-HRDQMINSSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-7-8-19-14(11)15(18)16-13(10-17)9-12-5-3-2-4-6-12/h2-6,11,13-14,17H,7-10H2,1H3,(H,16,18)/t11?,13-,14?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-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]-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 107861447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).