N-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide

C20H28N2O2 — CID 644557

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H28N2O2/c23-20(21-11-10-17-4-2-1-3-5-17)19-8-6-18(7-9-19)16-22-12-14-24-15-13-22/h4,6-9H,1-3,5,10-16H2,(H,21,23)
InChIKeyZNJHVYUEUYXHNI-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.14
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide

N-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 644557) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID644557
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H28N2O2/c23-20(21-11-10-17-4-2-1-3-5-17)19-8-6-18(7-9-19)16-22-12-14-24-15-13-22/h4,6-9H,1-3,5,10-16H2,(H,21,23)
InChIKeyZNJHVYUEUYXHNI-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
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]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide (CID 644557) is N-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide is O=C(NCCC1=CCCCC1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is ZNJHVYUEUYXHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(21-11-10-17-4-2-1-3-5-17)19-8-6-18(7-9-19)16-22-12-14-24-15-13-22/h4,6-9H,1-3,5,10-16H2,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 328.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 644557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).