N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C15H28N2O3 — CID 107406191

IUPACN-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C15H28N2O3/c1-11(16-13(19)14(2,3)4)12(18)17-9-6-7-15(5,20)8-10-17/h11,20H,6-10H2,1-5H3,(H,16,19)
InChIKeyNLQABRSNYDENTO-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.30
Rot. Bonds2

About N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 107406191) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID107406191
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C15H28N2O3/c1-11(16-13(19)14(2,3)4)12(18)17-9-6-7-15(5,20)8-10-17/h11,20H,6-10H2,1-5H3,(H,16,19)
InChIKeyNLQABRSNYDENTO-UHFFFAOYSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123591
1-(4-hydroxy-4-methylazepan-1-yl)-2,3-dimethylbutan-1-one
CID 107406135
1-(4-hydroxy-4-methylazepan-1-yl)-2-sulfanylpropan-1-one
CID 107408928
1-(4-hydroxy-4-methylazepan-1-yl)-2-methoxypropan-1-one
CID 107406143
2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 114329095
2-amino-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
CID 61267195
N-[1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 80702651
(2S)-2-amino-1-(4-hydroxy-4-methylazepan-1-yl)-4-methylpentan-1-one
CID 107404240
N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54878882
(3R)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118861
2,2,2-trifluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62490280
2,2-dimethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 110348620

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 107406191) is N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is NLQABRSNYDENTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(16-13(19)14(2,3)4)12(18)17-9-6-7-15(5,20)8-10-17/h11,20H,6-10H2,1-5H3,(H,16,19).
What are the key properties of N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 284.40 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxy-4-methylazepan-1-yl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 107406191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).