N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide

C13H20N2O2 — CID 67961870

IUPACN-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESO=C(NCCN1CCOCC1)C1=CCCC=C1
InChIInChI=1S/C13H20N2O2/c16-13(12-4-2-1-3-5-12)14-6-7-15-8-10-17-11-9-15/h2,4-5H,1,3,6-11H2,(H,14,16)
InChIKeyKFKOAJJWSYVCHL-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.71
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide

N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 67961870) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID67961870
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESO=C(NCCN1CCOCC1)C1=CCCC=C1
InChIInChI=1S/C13H20N2O2/c16-13(12-4-2-1-3-5-12)14-6-7-15-8-10-17-11-9-15/h2,4-5H,1,3,6-11H2,(H,14,16)
InChIKeyKFKOAJJWSYVCHL-UHFFFAOYSA-N
XLogP0.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide (CID 67961870) is N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide is O=C(NCCN1CCOCC1)C1=CCCC=C1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is KFKOAJJWSYVCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-13(12-4-2-1-3-5-12)14-6-7-15-8-10-17-11-9-15/h2,4-5H,1,3,6-11H2,(H,14,16).
What are the key properties of N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 67961870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).