N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide

C24H24N2O4 — CID 10179360

IUPACN-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NO)N1CCC(C)(c2ccc(Oc3cccc4ccccc34)cc2)C1=O
InChIInChI=1S/C24H24N2O4/c1-16(22(27)25-29)26-15-14-24(2,23(26)28)18-10-12-19(13-11-18)30-21-9-5-7-17-6-3-4-8-20(17)21/h3-13,16,29H,14-15H2,1-2H3,(H,25,27)
InChIKeyAJPMUAXFPCXAPI-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.02
Rot. Bonds5

About N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide

N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide (PubChem CID 10179360) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide
PubChem CID10179360
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NO)N1CCC(C)(c2ccc(Oc3cccc4ccccc34)cc2)C1=O
InChIInChI=1S/C24H24N2O4/c1-16(22(27)25-29)26-15-14-24(2,23(26)28)18-10-12-19(13-11-18)30-21-9-5-7-17-6-3-4-8-20(17)21/h3-13,16,29H,14-15H2,1-2H3,(H,25,27)
InChIKeyAJPMUAXFPCXAPI-UHFFFAOYSA-N
XLogP4.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide?
The IUPAC name of N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide (CID 10179360) is N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide?
The canonical SMILES for N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide is CC(C(=O)NO)N1CCC(C)(c2ccc(Oc3cccc4ccccc34)cc2)C1=O.
What is the InChIKey of N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide?
The InChIKey is AJPMUAXFPCXAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16(22(27)25-29)26-15-14-24(2,23(26)28)18-10-12-19(13-11-18)30-21-9-5-7-17-6-3-4-8-20(17)21/h3-13,16,29H,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide?
N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide has a molecular weight of 404.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 10179360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).