N-(3-cyanophenyl)-N-methylazepane-1-carboxamide

C15H19N3O — CID 79152194

IUPACN-(3-cyanophenyl)-N-methylazepane-1-carboxamide
SMILESCN(C(=O)N1CCCCCC1)c1cccc(C#N)c1
InChIInChI=1S/C15H19N3O/c1-17(14-8-6-7-13(11-14)12-16)15(19)18-9-4-2-3-5-10-18/h6-8,11H,2-5,9-10H2,1H3
InChIKeyCVUMZIIUEAUQGX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.99
Rot. Bonds1

About N-(3-cyanophenyl)-N-methylazepane-1-carboxamide

N-(3-cyanophenyl)-N-methylazepane-1-carboxamide (PubChem CID 79152194) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-methylazepane-1-carboxamide
PubChem CID79152194
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3-cyanophenyl)-N-methylazepane-1-carboxamide
SMILESCN(C(=O)N1CCCCCC1)c1cccc(C#N)c1
InChIInChI=1S/C15H19N3O/c1-17(14-8-6-7-13(11-14)12-16)15(19)18-9-4-2-3-5-10-18/h6-8,11H,2-5,9-10H2,1H3
InChIKeyCVUMZIIUEAUQGX-UHFFFAOYSA-N
XLogP2.99
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-methylazepane-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-N-methylazepane-1-carboxamide (CID 79152194) is N-(3-cyanophenyl)-N-methylazepane-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-methylazepane-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-N-methylazepane-1-carboxamide is CN(C(=O)N1CCCCCC1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-methylazepane-1-carboxamide?
The InChIKey is CVUMZIIUEAUQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17(14-8-6-7-13(11-14)12-16)15(19)18-9-4-2-3-5-10-18/h6-8,11H,2-5,9-10H2,1H3.
What are the key properties of N-(3-cyanophenyl)-N-methylazepane-1-carboxamide?
N-(3-cyanophenyl)-N-methylazepane-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-methylazepane-1-carboxamide is sourced from PubChem (CID 79152194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).