4-cyano-N-(3-ethoxycyclobutyl)benzamide

C14H16N2O2 — CID 102610611

IUPAC4-cyano-N-(3-ethoxycyclobutyl)benzamide
SMILESCCOC1CC(NC(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C14H16N2O2/c1-2-18-13-7-12(8-13)16-14(17)11-5-3-10(9-15)4-6-11/h3-6,12-13H,2,7-8H2,1H3,(H,16,17)
InChIKeyRSHUQEYNMBUGDN-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.86
Rot. Bonds4

About 4-cyano-N-(3-ethoxycyclobutyl)benzamide

4-cyano-N-(3-ethoxycyclobutyl)benzamide (PubChem CID 102610611) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-cyano-N-(3-ethoxycyclobutyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(3-ethoxycyclobutyl)benzamide
PubChem CID102610611
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-cyano-N-(3-ethoxycyclobutyl)benzamide
SMILESCCOC1CC(NC(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C14H16N2O2/c1-2-18-13-7-12(8-13)16-14(17)11-5-3-10(9-15)4-6-11/h3-6,12-13H,2,7-8H2,1H3,(H,16,17)
InChIKeyRSHUQEYNMBUGDN-UHFFFAOYSA-N
XLogP1.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxycyclobutyl)-4-iodobenzamide
CID 102610594
2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide
CID 102610591
4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
CID 64724364
N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide
CID 102610643
4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide
CID 102673953
6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
CID 102610570
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
4-cyano-N-(3-methylcyclohexyl)benzamide
CID 43244094
4-cyano-N-(2-propylcyclopropyl)benzamide
CID 103713616
2-(2-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide
CID 102610563

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-ethoxycyclobutyl)benzamide?
The IUPAC name of 4-cyano-N-(3-ethoxycyclobutyl)benzamide (CID 102610611) is 4-cyano-N-(3-ethoxycyclobutyl)benzamide.
What is the SMILES notation for 4-cyano-N-(3-ethoxycyclobutyl)benzamide?
The canonical SMILES for 4-cyano-N-(3-ethoxycyclobutyl)benzamide is CCOC1CC(NC(=O)c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-cyano-N-(3-ethoxycyclobutyl)benzamide?
The InChIKey is RSHUQEYNMBUGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-18-13-7-12(8-13)16-14(17)11-5-3-10(9-15)4-6-11/h3-6,12-13H,2,7-8H2,1H3,(H,16,17).
What are the key properties of 4-cyano-N-(3-ethoxycyclobutyl)benzamide?
4-cyano-N-(3-ethoxycyclobutyl)benzamide has a molecular weight of 244.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-ethoxycyclobutyl)benzamide is sourced from PubChem (CID 102610611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).