2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide

C15H19N3O — CID 2553774

IUPAC2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CN2CCCCCC2)c1
InChIInChI=1S/C15H19N3O/c16-11-13-6-5-7-14(10-13)17-15(19)12-18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,12H2,(H,17,19)
InChIKeyDDJFMYYOWSJAIZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.37
Rot. Bonds3

About 2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide

2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide (PubChem CID 2553774) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide
PubChem CID2553774
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CN2CCCCCC2)c1
InChIInChI=1S/C15H19N3O/c16-11-13-6-5-7-14(10-13)17-15(19)12-18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,12H2,(H,17,19)
InChIKeyDDJFMYYOWSJAIZ-UHFFFAOYSA-N
XLogP2.37
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide (CID 2553774) is 2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CN2CCCCCC2)c1.
What is the InChIKey of 2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide?
The InChIKey is DDJFMYYOWSJAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-11-13-6-5-7-14(10-13)17-15(19)12-18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,12H2,(H,17,19).
What are the key properties of 2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide?
2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 2553774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).