4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide

C16H22N2O3 — CID 8566237

IUPAC4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCCCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c17-16(20)13-6-8-14(9-7-13)21-12-15(19)18-10-4-2-1-3-5-11-18/h6-9H,1-5,10-12H2,(H2,17,20)
InChIKeyMSAGZPFVCFJDAB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.96
Rot. Bonds4

About 4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide

4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide (PubChem CID 8566237) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
PubChem CID8566237
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCCCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c17-16(20)13-6-8-14(9-7-13)21-12-15(19)18-10-4-2-1-3-5-11-18/h6-9H,1-5,10-12H2,(H2,17,20)
InChIKeyMSAGZPFVCFJDAB-UHFFFAOYSA-N
XLogP1.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
methyl 4-[2-(azetidin-1-yl)-2-oxoethoxy]benzoate
CID 60743515
1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone
CID 28916794
4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide
CID 8608210
4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide
CID 7931291

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide (CID 8566237) is 4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide is NC(=O)c1ccc(OCC(=O)N2CCCCCCC2)cc1.
What is the InChIKey of 4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide?
The InChIKey is MSAGZPFVCFJDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-16(20)13-6-8-14(9-7-13)21-12-15(19)18-10-4-2-1-3-5-11-18/h6-9H,1-5,10-12H2,(H2,17,20).
What are the key properties of 4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide?
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 8566237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).