N-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide

C18H18N2O3 — CID 11415648

IUPACN-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESO=C(CCC1=CCN(Cc2ccc3ccccc3c2)C1=O)NO
InChIInChI=1S/C18H18N2O3/c21-17(19-23)8-7-15-9-10-20(18(15)22)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,9,11,23H,7-8,10,12H2,(H,19,21)
InChIKeyPACVCVNJOYWIQO-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.39
Rot. Bonds5

About N-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide

N-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide (PubChem CID 11415648) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide
PubChem CID11415648
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESO=C(CCC1=CCN(Cc2ccc3ccccc3c2)C1=O)NO
InChIInChI=1S/C18H18N2O3/c21-17(19-23)8-7-15-9-10-20(18(15)22)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,9,11,23H,7-8,10,12H2,(H,19,21)
InChIKeyPACVCVNJOYWIQO-UHFFFAOYSA-N
XLogP2.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide (CID 11415648) is N-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide is O=C(CCC1=CCN(Cc2ccc3ccccc3c2)C1=O)NO.
What is the InChIKey of N-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide?
The InChIKey is PACVCVNJOYWIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(19-23)8-7-15-9-10-20(18(15)22)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,9,11,23H,7-8,10,12H2,(H,19,21).
What are the key properties of N-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide?
N-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide has a molecular weight of 310.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-(naphthalen-2-ylmethyl)-5-oxo-2H-pyrrol-4-yl]propanamide is sourced from PubChem (CID 11415648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).