3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide

C18H28N2O3 — CID 95872964

IUPAC3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide
SMILESCNC(=O)C[C@@H](C)N(C)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C18H28N2O3/c1-13(11-16(21)19-4)20(5)17(22)15-8-6-7-14(12-15)9-10-18(2,3)23/h6-8,12-13,23H,9-11H2,1-5H3,(H,19,21)/t13-/m1/s1
InChIKeyXFUXYXBORFFXSU-CYBMUJFWSA-N
MW320.43 g/mol
LogP1.99
Rot. Bonds7

About 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide

3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide (PubChem CID 95872964) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide
PubChem CID95872964
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide
SMILESCNC(=O)C[C@@H](C)N(C)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C18H28N2O3/c1-13(11-16(21)19-4)20(5)17(22)15-8-6-7-14(12-15)9-10-18(2,3)23/h6-8,12-13,23H,9-11H2,1-5H3,(H,19,21)/t13-/m1/s1
InChIKeyXFUXYXBORFFXSU-CYBMUJFWSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide (CID 95872964) is 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide is CNC(=O)C[C@@H](C)N(C)C(=O)c1cccc(CCC(C)(C)O)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide?
The InChIKey is XFUXYXBORFFXSU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(11-16(21)19-4)20(5)17(22)15-8-6-7-14(12-15)9-10-18(2,3)23/h6-8,12-13,23H,9-11H2,1-5H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide?
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide has a molecular weight of 320.43 g/mol, XLogP of 1.99, 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-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 95872964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).