N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide

C14H24N2O2 — CID 55167313

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
SMILESCOCCN(CCC#N)C(=O)C1CCCCCC1
InChIInChI=1S/C14H24N2O2/c1-18-12-11-16(10-6-9-15)14(17)13-7-4-2-3-5-8-13/h13H,2-8,10-12H2,1H3
InChIKeyBAJRCAQDPQSXSW-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.35
Rot. Bonds6

About N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide (PubChem CID 55167313) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
PubChem CID55167313
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
SMILESCOCCN(CCC#N)C(=O)C1CCCCCC1
InChIInChI=1S/C14H24N2O2/c1-18-12-11-16(10-6-9-15)14(17)13-7-4-2-3-5-8-13/h13H,2-8,10-12H2,1H3
InChIKeyBAJRCAQDPQSXSW-UHFFFAOYSA-N
XLogP2.35
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide (CID 55167313) is N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide is COCCN(CCC#N)C(=O)C1CCCCCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide?
The InChIKey is BAJRCAQDPQSXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-18-12-11-16(10-6-9-15)14(17)13-7-4-2-3-5-8-13/h13H,2-8,10-12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide is sourced from PubChem (CID 55167313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).