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

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Related Compounds

2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide
CID 101153293
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
N,4,4-trimethyl-3-oxo-N-phenylpentanamide
CID 134872382
2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid
CID 119187916
N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide
CID 115870187
3,3,3-trifluoro-2-methyl-2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 79798429
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
2-anilino-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 106148046
N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide
CID 108961721
N-[2-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 115869842
2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 79269292
4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide
CID 14230778

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).