N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide

C20H26N4O3 — CID 11501571

IUPACN-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide
SMILESN#CCNC(=O)C1(NC(=O)c2ccc(N3CCOCC3)cc2)CCCCC1
InChIInChI=1S/C20H26N4O3/c21-10-11-22-19(26)20(8-2-1-3-9-20)23-18(25)16-4-6-17(7-5-16)24-12-14-27-15-13-24/h4-7H,1-3,8-9,11-15H2,(H,22,26)(H,23,25)
InChIKeyVPDSKJMUTGIXQJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.60
Rot. Bonds5

About N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide

N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide (PubChem CID 11501571) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide
PubChem CID11501571
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide
SMILESN#CCNC(=O)C1(NC(=O)c2ccc(N3CCOCC3)cc2)CCCCC1
InChIInChI=1S/C20H26N4O3/c21-10-11-22-19(26)20(8-2-1-3-9-20)23-18(25)16-4-6-17(7-5-16)24-12-14-27-15-13-24/h4-7H,1-3,8-9,11-15H2,(H,22,26)(H,23,25)
InChIKeyVPDSKJMUTGIXQJ-UHFFFAOYSA-N
XLogP1.60
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide (CID 11501571) is N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide is N#CCNC(=O)C1(NC(=O)c2ccc(N3CCOCC3)cc2)CCCCC1.
What is the InChIKey of N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide?
The InChIKey is VPDSKJMUTGIXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c21-10-11-22-19(26)20(8-2-1-3-9-20)23-18(25)16-4-6-17(7-5-16)24-12-14-27-15-13-24/h4-7H,1-3,8-9,11-15H2,(H,22,26)(H,23,25).
What are the key properties of N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide?
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 11501571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).