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

C16H22N2O3 — CID 95886609

IUPAC4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-16(2,21)9-7-11-3-5-12(6-4-11)14(19)18-13-8-10-17-15(13)20/h3-6,13,21H,7-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyRZLXUGMOCWDGGG-CYBMUJFWSA-N
MW290.36 g/mol
LogP1.01
Rot. Bonds5

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

4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 95886609) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide
PubChem CID95886609
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-16(2,21)9-7-11-3-5-12(6-4-11)14(19)18-13-8-10-17-15(13)20/h3-6,13,21H,7-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyRZLXUGMOCWDGGG-CYBMUJFWSA-N
XLogP1.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.01
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-[(3R)-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide (CID 95886609) is 4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide is CC(C)(O)CCc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is RZLXUGMOCWDGGG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,21)9-7-11-3-5-12(6-4-11)14(19)18-13-8-10-17-15(13)20/h3-6,13,21H,7-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m1/s1.
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide?
4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.01, 5 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-[(3R)-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95886609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).