4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide

C19H29NO3 — CID 95874324

IUPAC4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NCC[C@@H]2CCCOC2)cc1
InChIInChI=1S/C19H29NO3/c1-19(2,22)11-9-15-5-7-17(8-6-15)18(21)20-12-10-16-4-3-13-23-14-16/h5-8,16,22H,3-4,9-14H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyCPSWFQYJUGOXIU-INIZCTEOSA-N
MW319.44 g/mol
LogP2.94
Rot. Bonds7

About 4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide

4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide (PubChem CID 95874324) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
PubChem CID95874324
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NCC[C@@H]2CCCOC2)cc1
InChIInChI=1S/C19H29NO3/c1-19(2,22)11-9-15-5-7-17(8-6-15)18(21)20-12-10-16-4-3-13-23-14-16/h5-8,16,22H,3-4,9-14H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyCPSWFQYJUGOXIU-INIZCTEOSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
CID 95894673
N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125434835
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95863158
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
3-[2-[2-(oxan-3-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 136556483
4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 56910378
N-(2-cyclohexylethyl)-4-(propylamino)benzamide
CID 62180221
4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
CID 95873116
4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126447960
4-(3-hydroxy-3-methylbutyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 56909604

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide (CID 95874324) is 4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide is CC(C)(O)CCc1ccc(C(=O)NCC[C@@H]2CCCOC2)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide?
The InChIKey is CPSWFQYJUGOXIU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29NO3/c1-19(2,22)11-9-15-5-7-17(8-6-15)18(21)20-12-10-16-4-3-13-23-14-16/h5-8,16,22H,3-4,9-14H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide?
4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide has a molecular weight of 319.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide is sourced from PubChem (CID 95874324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).