N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide

C15H28N2O2 — CID 86828606

IUPACN-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(=O)N1CCCCCCC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)11-13(18)16-12-14(19)17-9-7-5-4-6-8-10-17/h4-12H2,1-3H3,(H,16,18)
InChIKeyMBSLIABQQDWURS-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds3

About N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide

N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 86828606) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID86828606
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(=O)N1CCCCCCC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)11-13(18)16-12-14(19)17-9-7-5-4-6-8-10-17/h4-12H2,1-3H3,(H,16,18)
InChIKeyMBSLIABQQDWURS-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119416513
1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 102553202
(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 99638975
2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 113405891
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 110903001
3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-phenylbutanamide
CID 110024517
N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931
N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide
CID 113281833
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358
6-[2-(3,3-dimethylbutanoylamino)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175390
1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
CID 54948974
methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate
CID 110712317

Frequently Asked Questions

What is the IUPAC name of N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide (CID 86828606) is N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC(=O)N1CCCCCCC1.
What is the InChIKey of N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is MBSLIABQQDWURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)11-13(18)16-12-14(19)17-9-7-5-4-6-8-10-17/h4-12H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide?
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 268.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 86828606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).