4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide

C17H24N2O3 — CID 95869015

IUPAC4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NC[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C17H24N2O3/c1-17(2,22)10-9-12-3-5-13(6-4-12)16(21)18-11-14-7-8-15(20)19-14/h3-6,14,22H,7-11H2,1-2H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyISTRXDKCFXWUKQ-CQSZACIVSA-N
MW304.39 g/mol
LogP1.40
Rot. Bonds6

About 4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide

4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide (PubChem CID 95869015) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide
PubChem CID95869015
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NC[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C17H24N2O3/c1-17(2,22)10-9-12-3-5-13(6-4-12)16(21)18-11-14-7-8-15(20)19-14/h3-6,14,22H,7-11H2,1-2H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyISTRXDKCFXWUKQ-CQSZACIVSA-N
XLogP1.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide (CID 95869015) is 4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide is CC(C)(O)CCc1ccc(C(=O)NC[C@H]2CCC(=O)N2)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide?
The InChIKey is ISTRXDKCFXWUKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,22)10-9-12-3-5-13(6-4-12)16(21)18-11-14-7-8-15(20)19-14/h3-6,14,22H,7-11H2,1-2H3,(H,18,21)(H,19,20)/t14-/m1/s1.
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide?
4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide has a molecular weight of 304.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 95869015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).