3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide

C20H25N3O2 — CID 95873254

IUPAC3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCCc3nccnc32)c1
InChIInChI=1S/C20H25N3O2/c1-20(2,25)10-9-14-5-3-6-15(13-14)19(24)23-17-8-4-7-16-18(17)22-12-11-21-16/h3,5-6,11-13,17,25H,4,7-10H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyJKCLIMSCAJFWEU-QGZVFWFLSA-N
MW339.44 g/mol
LogP2.99
Rot. Bonds5

About 3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide

3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide (PubChem CID 95873254) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide
PubChem CID95873254
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCCc3nccnc32)c1
InChIInChI=1S/C20H25N3O2/c1-20(2,25)10-9-14-5-3-6-15(13-14)19(24)23-17-8-4-7-16-18(17)22-12-11-21-16/h3,5-6,11-13,17,25H,4,7-10H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyJKCLIMSCAJFWEU-QGZVFWFLSA-N
XLogP2.99
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 95894196
3-(3-hydroxy-3-methylbutyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 95894197
3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 70749711
3-(3-hydroxy-3-methylbutyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 70713171
3-(3-hydroxy-3-methylbutyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91763791
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 95885487
3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 70719123
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70719311
N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70749423
N-[(1R,2R)-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70769043
3-(3-hydroxy-3-methylbutyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzamide
CID 95896352
3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
CID 95894673

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide (CID 95873254) is 3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide is CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCCc3nccnc32)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide?
The InChIKey is JKCLIMSCAJFWEU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(2,25)10-9-14-5-3-6-15(13-14)19(24)23-17-8-4-7-16-18(17)22-12-11-21-16/h3,5-6,11-13,17,25H,4,7-10H2,1-2H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide?
3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]benzamide is sourced from PubChem (CID 95873254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).