3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide

C20H30N2O4 — CID 133130454

IUPAC3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)N[C@@H]2COC[C@H]2N2CCOCC2)c1
InChIInChI=1S/C20H30N2O4/c1-20(2,24)7-6-15-4-3-5-16(12-15)19(23)21-17-13-26-14-18(17)22-8-10-25-11-9-22/h3-5,12,17-18,24H,6-11,13-14H2,1-2H3,(H,21,23)/t17-,18-/m1/s1
InChIKeyUTUACHWZCIIYJB-QZTJIDSGSA-N
MW362.47 g/mol
LogP1.22
Rot. Bonds6

About 3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide

3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide (PubChem CID 133130454) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide
PubChem CID133130454
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)N[C@@H]2COC[C@H]2N2CCOCC2)c1
InChIInChI=1S/C20H30N2O4/c1-20(2,24)7-6-15-4-3-5-16(12-15)19(23)21-17-13-26-14-18(17)22-8-10-25-11-9-22/h3-5,12,17-18,24H,6-11,13-14H2,1-2H3,(H,21,23)/t17-,18-/m1/s1
InChIKeyUTUACHWZCIIYJB-QZTJIDSGSA-N
XLogP1.22
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]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

3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 70719123
3-(3-hydroxy-3-methylbutyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91763791
N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 95861904
3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 70749711
3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 119070601
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 56909674
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 95885487
[(3R)-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95891625
3-(3-hydroxy-3-methylbutyl)-N-[2-[(3S)-oxan-3-yl]ethyl]benzamide
CID 95894673
4-(2-hydroxyethylsulfanyl)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]benzamide
CID 91776814
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide (CID 133130454) is 3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide is CC(C)(O)CCc1cccc(C(=O)N[C@@H]2COC[C@H]2N2CCOCC2)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide?
The InChIKey is UTUACHWZCIIYJB-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-20(2,24)7-6-15-4-3-5-16(12-15)19(23)21-17-13-26-14-18(17)22-8-10-25-11-9-22/h3-5,12,17-18,24H,6-11,13-14H2,1-2H3,(H,21,23)/t17-,18-/m1/s1.
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide?
3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide has a molecular weight of 362.47 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]benzamide is sourced from PubChem (CID 133130454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).