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

C19H33N3O2 — CID 113116722

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCCN1CCN(C(=O)CCN(CCC2=CCCCC2)C(C)=O)CC1
InChIInChI=1S/C19H33N3O2/c1-3-20-13-15-22(16-14-20)19(24)10-12-21(17(2)23)11-9-18-7-5-4-6-8-18/h7H,3-6,8-16H2,1-2H3
InChIKeyJOTJPCYYWLMDHC-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.28
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113116722) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide
PubChem CID113116722
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCCN1CCN(C(=O)CCN(CCC2=CCCCC2)C(C)=O)CC1
InChIInChI=1S/C19H33N3O2/c1-3-20-13-15-22(16-14-20)19(24)10-12-21(17(2)23)11-9-18-7-5-4-6-8-18/h7H,3-6,8-16H2,1-2H3
InChIKeyJOTJPCYYWLMDHC-UHFFFAOYSA-N
XLogP2.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.28
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-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide (CID 113116722) is N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide is CCN1CCN(C(=O)CCN(CCC2=CCCCC2)C(C)=O)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is JOTJPCYYWLMDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-3-20-13-15-22(16-14-20)19(24)10-12-21(17(2)23)11-9-18-7-5-4-6-8-18/h7H,3-6,8-16H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 335.49 g/mol, XLogP of 2.28, 7 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-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113116722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).