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

C19H29NO3 — CID 95894673

IUPAC3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCC[C@@H]2CCCOC2)c1
InChIInChI=1S/C19H29NO3/c1-19(2,22)10-8-15-5-3-7-17(13-15)18(21)20-11-9-16-6-4-12-23-14-16/h3,5,7,13,16,22H,4,6,8-12,14H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyRZCHZAHQJLQBBT-INIZCTEOSA-N
MW319.44 g/mol
LogP2.94
Rot. Bonds7

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

3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide (PubChem CID 95894673) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
PubChem CID95894673
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCC[C@@H]2CCCOC2)c1
InChIInChI=1S/C19H29NO3/c1-19(2,22)10-8-15-5-3-7-17(13-15)18(21)20-11-9-16-6-4-12-23-14-16/h3,5,7,13,16,22H,4,6,8-12,14H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyRZCHZAHQJLQBBT-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

Analyze 3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
CID 95874324
3-[2-[2-(oxan-3-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 136556483
N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 95861904
N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125434835
3-(3-hydroxy-3-methylbutyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzamide
CID 95896352
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70788922
3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 95873193
N-(2-cyclohexylethyl)-3-(methylamino)benzamide
CID 115160938
N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide
CID 124624589
3-(3-hydroxy-3-methylbutyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 70763675
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide (CID 95894673) is 3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide is CC(C)(O)CCc1cccc(C(=O)NCC[C@@H]2CCCOC2)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide?
The InChIKey is RZCHZAHQJLQBBT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29NO3/c1-19(2,22)10-8-15-5-3-7-17(13-15)18(21)20-11-9-16-6-4-12-23-14-16/h3,5,7,13,16,22H,4,6,8-12,14H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide?
3-(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 3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide is sourced from PubChem (CID 95894673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).