N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide

C15H21NO3 — CID 81329667

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NC(CO)Cc2ccccc2)O1
InChIInChI=1S/C15H21NO3/c1-11-7-8-14(19-11)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)
InChIKeyCGUALVIRUFVTGQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.27
Rot. Bonds5

About N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide

N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide (PubChem CID 81329667) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide
PubChem CID81329667
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NC(CO)Cc2ccccc2)O1
InChIInChI=1S/C15H21NO3/c1-11-7-8-14(19-11)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)
InChIKeyCGUALVIRUFVTGQ-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide
CID 107861447
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-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779429
N-(2-amino-1-phenylethyl)-5-methyloxolane-2-carboxamide
CID 81327038
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 102673858
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
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
CID 107861200
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide (CID 81329667) is N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NC(CO)Cc2ccccc2)O1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide?
The InChIKey is CGUALVIRUFVTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-7-8-14(19-11)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).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81329667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).