5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide

C18H28N2O3 — CID 102177116

IUPAC5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide
SMILESCN(C(=O)C(C)(C)NC(=O)CC(C)(C)CCO)c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-17(2,11-12-21)13-15(22)19-18(3,4)16(23)20(5)14-9-7-6-8-10-14/h6-10,21H,11-13H2,1-5H3,(H,19,22)
InChIKeySZQMBMZHTMBJQV-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.34
Rot. Bonds7

About 5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide

5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide (PubChem CID 102177116) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide
PubChem CID102177116
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide
SMILESCN(C(=O)C(C)(C)NC(=O)CC(C)(C)CCO)c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-17(2,11-12-21)13-15(22)19-18(3,4)16(23)20(5)14-9-7-6-8-10-14/h6-10,21H,11-13H2,1-5H3,(H,19,22)
InChIKeySZQMBMZHTMBJQV-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide?
The IUPAC name of 5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide (CID 102177116) is 5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide.
What is the SMILES notation for 5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide?
The canonical SMILES for 5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide is CN(C(=O)C(C)(C)NC(=O)CC(C)(C)CCO)c1ccccc1.
What is the InChIKey of 5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide?
The InChIKey is SZQMBMZHTMBJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-17(2,11-12-21)13-15(22)19-18(3,4)16(23)20(5)14-9-7-6-8-10-14/h6-10,21H,11-13H2,1-5H3,(H,19,22).
What are the key properties of 5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide?
5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide has a molecular weight of 320.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,3-dimethyl-N-[2-methyl-1-(N-methylanilino)-1-oxopropan-2-yl]pentanamide is sourced from PubChem (CID 102177116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).