4-[2-(azepan-1-yl)ethoxy]benzamide

C15H22N2O2 — CID 147487835

IUPAC4-[2-(azepan-1-yl)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCCN2CCCCCC2)cc1
InChIInChI=1S/C15H22N2O2/c16-15(18)13-5-7-14(8-6-13)19-12-11-17-9-3-1-2-4-10-17/h5-8H,1-4,9-12H2,(H2,16,18)
InChIKeyFEXUEJBMHUETKC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.04
Rot. Bonds5

About 4-[2-(azepan-1-yl)ethoxy]benzamide

4-[2-(azepan-1-yl)ethoxy]benzamide (PubChem CID 147487835) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[2-(azepan-1-yl)ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-(azepan-1-yl)ethoxy]benzamide
PubChem CID147487835
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[2-(azepan-1-yl)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCCN2CCCCCC2)cc1
InChIInChI=1S/C15H22N2O2/c16-15(18)13-5-7-14(8-6-13)19-12-11-17-9-3-1-2-4-10-17/h5-8H,1-4,9-12H2,(H2,16,18)
InChIKeyFEXUEJBMHUETKC-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61301567
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
methane;4-(2-piperidin-1-ylethoxy)benzoic acid;4-(2-piperidin-1-ylethoxy)benzoyl chloride
CID 161045120
4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 34704521
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 140994444
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 30737845

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azepan-1-yl)ethoxy]benzamide?
The IUPAC name of 4-[2-(azepan-1-yl)ethoxy]benzamide (CID 147487835) is 4-[2-(azepan-1-yl)ethoxy]benzamide.
What is the SMILES notation for 4-[2-(azepan-1-yl)ethoxy]benzamide?
The canonical SMILES for 4-[2-(azepan-1-yl)ethoxy]benzamide is NC(=O)c1ccc(OCCN2CCCCCC2)cc1.
What is the InChIKey of 4-[2-(azepan-1-yl)ethoxy]benzamide?
The InChIKey is FEXUEJBMHUETKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-15(18)13-5-7-14(8-6-13)19-12-11-17-9-3-1-2-4-10-17/h5-8H,1-4,9-12H2,(H2,16,18).
What are the key properties of 4-[2-(azepan-1-yl)ethoxy]benzamide?
4-[2-(azepan-1-yl)ethoxy]benzamide has a molecular weight of 262.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azepan-1-yl)ethoxy]benzamide is sourced from PubChem (CID 147487835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).