3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide

C18H27NO3 — CID 70753413

IUPAC3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCCC2CCOC2)c1
InChIInChI=1S/C18H27NO3/c1-18(2,21)9-6-14-4-3-5-16(12-14)17(20)19-10-7-15-8-11-22-13-15/h3-5,12,15,21H,6-11,13H2,1-2H3,(H,19,20)
InChIKeyXWINIXILYGAZMZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.55
Rot. Bonds7

About 3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide

3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide (PubChem CID 70753413) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
PubChem CID70753413
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCCC2CCOC2)c1
InChIInChI=1S/C18H27NO3/c1-18(2,21)9-6-14-4-3-5-16(12-14)17(20)19-10-7-15-8-11-22-13-15/h3-5,12,15,21H,6-11,13H2,1-2H3,(H,19,20)
InChIKeyXWINIXILYGAZMZ-UHFFFAOYSA-N
XLogP2.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzamide, N-tetrahydrofurfuryl-3-methyl-
CID 531960
Benzamide, N-tetrahydrofurfuryl-2-methyl-
CID 531862
4-tert-butyl-N-(oxolan-2-ylmethyl)benzamide
CID 2847846
N-[(2S)-1,3-Dihydroxynonan-2-yl]benzamide
CID 44421747
N-[(2S)-1,3-Dihydroxyundecan-2-yl]benzamide
CID 44421766
4-(3-hydroxy-3-methylbutyl)-N-(tetrahydro-2H-pyran-3-ylmethyl)benzamide
CID 56908098
N-[(1S)-2-amino-1-methyl-2-oxoethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70719311
N-(1,4-dioxan-2-ylmethyl)-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70720585
3-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(hydroxymethyl)propyl]benzamide
CID 70734600
N-(2-{1-[3-(3-hydroxy-3-methylbutyl)benzoyl]-2-piperidinyl}ethyl)acetamide
CID 70738477
2-Methyl-4-[3-(1-oxa-7-azaspiro[3.5]non-7-ylcarbonyl)phenyl]-2-butanol
CID 70742399
N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70743144

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide (CID 70753413) is 3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide is CC(C)(O)CCc1cccc(C(=O)NCCC2CCOC2)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is XWINIXILYGAZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-18(2,21)9-6-14-4-3-5-16(12-14)17(20)19-10-7-15-8-11-22-13-15/h3-5,12,15,21H,6-11,13H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide?
3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 305.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-N-[2-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 70753413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).