(2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide

C18H17NO4 — CID 127028645

IUPAC(2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide
SMILESO=C(NO)[C@@H](CO)OCc1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C18H17NO4/c20-12-17(18(21)19-22)23-13-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,17,20,22H,12-13H2,(H,19,21)/t17-/m1/s1
InChIKeyQCLCDFIDVGJXRB-QGZVFWFLSA-N
MW311.34 g/mol
LogP1.47
Rot. Bonds5

About (2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide

(2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide (PubChem CID 127028645) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide
PubChem CID127028645
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide
SMILESO=C(NO)[C@@H](CO)OCc1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C18H17NO4/c20-12-17(18(21)19-22)23-13-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,17,20,22H,12-13H2,(H,19,21)/t17-/m1/s1
InChIKeyQCLCDFIDVGJXRB-QGZVFWFLSA-N
XLogP1.47
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide?
The IUPAC name of (2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide (CID 127028645) is (2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide.
What is the SMILES notation for (2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide?
The canonical SMILES for (2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide is O=C(NO)[C@@H](CO)OCc1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of (2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide?
The InChIKey is QCLCDFIDVGJXRB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17NO4/c20-12-17(18(21)19-22)23-13-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11,17,20,22H,12-13H2,(H,19,21)/t17-/m1/s1.
What are the key properties of (2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide?
(2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide has a molecular weight of 311.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,3-dihydroxy-2-[[4-(2-phenylethynyl)phenyl]methoxy]propanamide is sourced from PubChem (CID 127028645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).