(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide

C15H19NO3 — CID 10999832

IUPAC(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide
SMILESCC1=CCO[C@@H](C(=O)N[C@H](CO)c2ccccc2)C1
InChIInChI=1S/C15H19NO3/c1-11-7-8-19-14(9-11)15(18)16-13(10-17)12-5-3-2-4-6-12/h2-7,13-14,17H,8-10H2,1H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyXICXLHWUEPDYAB-ZIAGYGMSSA-N
MW261.32 g/mol
LogP1.57
Rot. Bonds4

About (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide

(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide (PubChem CID 10999832) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide
PubChem CID10999832
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide
SMILESCC1=CCO[C@@H](C(=O)N[C@H](CO)c2ccccc2)C1
InChIInChI=1S/C15H19NO3/c1-11-7-8-19-14(9-11)15(18)16-13(10-17)12-5-3-2-4-6-12/h2-7,13-14,17H,8-10H2,1H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyXICXLHWUEPDYAB-ZIAGYGMSSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 107862091
5-[(2-hydroxy-1-phenylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688505
N-(2-hydroxy-1-phenylethyl)-4-methylmorpholine-2-carboxamide
CID 110001398
N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
CID 113258888
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390983
(1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 102059311
N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 103772752
N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide
CID 110022005
N-(2-hydroxy-1-phenylethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 110001471
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide (CID 10999832) is (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide is CC1=CCO[C@@H](C(=O)N[C@H](CO)c2ccccc2)C1.
What is the InChIKey of (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide?
The InChIKey is XICXLHWUEPDYAB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-7-8-19-14(9-11)15(18)16-13(10-17)12-5-3-2-4-6-12/h2-7,13-14,17H,8-10H2,1H3,(H,16,18)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide?
(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide is sourced from PubChem (CID 10999832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).