N-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

C17H28N2O3 — CID 113116716

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1)CCC1=CCCCC1
InChIInChI=1S/C17H28N2O3/c1-15(20)18(9-7-16-5-3-2-4-6-16)10-8-17(21)19-11-13-22-14-12-19/h5H,2-4,6-14H2,1H3
InChIKeyGUPXPDZBHATTKP-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.97
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (PubChem CID 113116716) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
PubChem CID113116716
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1)CCC1=CCCCC1
InChIInChI=1S/C17H28N2O3/c1-15(20)18(9-7-16-5-3-2-4-6-16)10-8-17(21)19-11-13-22-14-12-19/h5H,2-4,6-14H2,1H3
InChIKeyGUPXPDZBHATTKP-UHFFFAOYSA-N
XLogP1.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-yl-3-oxopropyl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (CID 113116716) is N-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is CC(=O)N(CCC(=O)N1CCOCC1)CCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The InChIKey is GUPXPDZBHATTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-15(20)18(9-7-16-5-3-2-4-6-16)10-8-17(21)19-11-13-22-14-12-19/h5H,2-4,6-14H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide has a molecular weight of 308.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is sourced from PubChem (CID 113116716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).