4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

C17H26N2O3 — CID 56900068

IUPAC4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2,22)11-9-13-5-7-14(8-6-13)16(21)19(4)12-10-15(20)18-3/h5-8,22H,9-12H2,1-4H3,(H,18,20)
InChIKeyFGXLYXWLRQBBBX-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.60
Rot. Bonds7

About 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 56900068) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID56900068
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2,22)11-9-13-5-7-14(8-6-13)16(21)19(4)12-10-15(20)18-3/h5-8,22H,9-12H2,1-4H3,(H,18,20)
InChIKeyFGXLYXWLRQBBBX-UHFFFAOYSA-N
XLogP1.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 104628237
4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013
4-(3-hydroxy-3-methylbutyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
CID 70751420
4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913755
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid
CID 60989210
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95862889
4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 119060959
N-(3,3-dimethylbutyl)-N-methyl-4-(methylamino)benzamide
CID 115161121
2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 106915052
4-hydroxy-N,4-dimethylpentanamide
CID 131039941
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 95872964

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 56900068) is 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCN(C)C(=O)c1ccc(CCC(C)(C)O)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is FGXLYXWLRQBBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,22)11-9-13-5-7-14(8-6-13)16(21)19(4)12-10-15(20)18-3/h5-8,22H,9-12H2,1-4H3,(H,18,20).
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
4-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 306.41 g/mol, XLogP of 1.60, 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-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 56900068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).