N-(1-cyanocycloheptyl)-3-ethoxypropanamide

C13H22N2O2 — CID 62591017

IUPACN-(1-cyanocycloheptyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C13H22N2O2/c1-2-17-10-7-12(16)15-13(11-14)8-5-3-4-6-9-13/h2-10H2,1H3,(H,15,16)
InChIKeyWLRVOFOXTLIUEZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.15
Rot. Bonds5

About N-(1-cyanocycloheptyl)-3-ethoxypropanamide

N-(1-cyanocycloheptyl)-3-ethoxypropanamide (PubChem CID 62591017) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-3-ethoxypropanamide
PubChem CID62591017
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(1-cyanocycloheptyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C13H22N2O2/c1-2-17-10-7-12(16)15-13(11-14)8-5-3-4-6-9-13/h2-10H2,1H3,(H,15,16)
InChIKeyWLRVOFOXTLIUEZ-UHFFFAOYSA-N
XLogP2.15
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanocyclooctyl)-4-methoxybutanamide
CID 112731248
methyl 4-[(1-cyanocyclohexyl)amino]-4-oxobutanoate
CID 95453797
N-(1-cyanocyclooctyl)hexanamide
CID 54904747
N-(1-cyanocyclooctyl)octanamide
CID 60968683
N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide
CID 112728083
4-[(1-cyanocyclohexyl)amino]-4-oxobutanoic acid
CID 82287344
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
N-(1-carbamothioylcyclohexyl)-3-ethoxypropanamide
CID 55091304

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-3-ethoxypropanamide?
The IUPAC name of N-(1-cyanocycloheptyl)-3-ethoxypropanamide (CID 62591017) is N-(1-cyanocycloheptyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-3-ethoxypropanamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-3-ethoxypropanamide is CCOCCC(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-3-ethoxypropanamide?
The InChIKey is WLRVOFOXTLIUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-17-10-7-12(16)15-13(11-14)8-5-3-4-6-9-13/h2-10H2,1H3,(H,15,16).
What are the key properties of N-(1-cyanocycloheptyl)-3-ethoxypropanamide?
N-(1-cyanocycloheptyl)-3-ethoxypropanamide has a molecular weight of 238.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-3-ethoxypropanamide is sourced from PubChem (CID 62591017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).