N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide

C16H27N3O3 — CID 2224636

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H27N3O3/c20-15(17-7-6-14-4-2-1-3-5-14)16(21)18-8-9-19-10-12-22-13-11-19/h4H,1-3,5-13H2,(H,17,20)(H,18,21)
InChIKeyTXMXHIGAGJXYJH-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.44
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide (PubChem CID 2224636) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
PubChem CID2224636
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H27N3O3/c20-15(17-7-6-14-4-2-1-3-5-14)16(21)18-8-9-19-10-12-22-13-11-19/h4H,1-3,5-13H2,(H,17,20)(H,18,21)
InChIKeyTXMXHIGAGJXYJH-UHFFFAOYSA-N
XLogP0.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide (CID 2224636) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide is O=C(NCCC1=CCCCC1)C(=O)NCCN1CCOCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is TXMXHIGAGJXYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c20-15(17-7-6-14-4-2-1-3-5-14)16(21)18-8-9-19-10-12-22-13-11-19/h4H,1-3,5-13H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 309.41 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 2224636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).