(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide

C18H26N2O3 — CID 10914151

IUPAC(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESCC(C)Cc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1
InChIInChI=1S/C18H26N2O3/c1-12(2)11-14-5-7-15(8-6-14)18(4)9-10-20(17(18)22)13(3)16(21)19-23/h5-8,12-13,23H,9-11H2,1-4H3,(H,19,21)/t13-,18+/m1/s1
InChIKeyNIUYUCAJYPRIRB-ACJLOTCBSA-N
MW318.42 g/mol
LogP2.27
Rot. Bonds5

About (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide

(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide (PubChem CID 10914151) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide
PubChem CID10914151
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESCC(C)Cc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1
InChIInChI=1S/C18H26N2O3/c1-12(2)11-14-5-7-15(8-6-14)18(4)9-10-20(17(18)22)13(3)16(21)19-23/h5-8,12-13,23H,9-11H2,1-4H3,(H,19,21)/t13-,18+/m1/s1
InChIKeyNIUYUCAJYPRIRB-ACJLOTCBSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.27
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 (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide (CID 10914151) is (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide is CC(C)Cc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1.
What is the InChIKey of (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide?
The InChIKey is NIUYUCAJYPRIRB-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)11-14-5-7-15(8-6-14)18(4)9-10-20(17(18)22)13(3)16(21)19-23/h5-8,12-13,23H,9-11H2,1-4H3,(H,19,21)/t13-,18+/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide?
(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-(2-methylpropyl)phenyl]-2-oxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 10914151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).