N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide

C17H29N3O3 — CID 5018134

IUPACN'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H29N3O3/c21-16(18-8-4-10-20-11-13-23-14-12-20)17(22)19-9-7-15-5-2-1-3-6-15/h5H,1-4,6-14H2,(H,18,21)(H,19,22)
InChIKeyZQWHKKKQOZBMSX-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.83
Rot. Bonds7

About N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 5018134) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID5018134
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H29N3O3/c21-16(18-8-4-10-20-11-13-23-14-12-20)17(22)19-9-7-15-5-2-1-3-6-15/h5H,1-4,6-14H2,(H,18,21)(H,19,22)
InChIKeyZQWHKKKQOZBMSX-UHFFFAOYSA-N
XLogP0.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide (CID 5018134) is N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is ZQWHKKKQOZBMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c21-16(18-8-4-10-20-11-13-23-14-12-20)17(22)19-9-7-15-5-2-1-3-6-15/h5H,1-4,6-14H2,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 323.44 g/mol, XLogP of 0.83, 7 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-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 5018134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).