2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C20H22BrNO2 — CID 1010848

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NCCC1=CCCCC1
InChIInChI=1S/C20H22BrNO2/c21-20-17-9-5-4-8-16(17)10-11-18(20)24-14-19(23)22-13-12-15-6-2-1-3-7-15/h4-6,8-11H,1-3,7,12-14H2,(H,22,23)
InChIKeyKLVTZRSJCHVERP-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.99
Rot. Bonds6

About 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 1010848) has the molecular formula C20H22BrNO2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID1010848
Molecular FormulaC20H22BrNO2
Molecular Weight388.31 g/mol
Exact Mass387.08
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NCCC1=CCCCC1
InChIInChI=1S/C20H22BrNO2/c21-20-17-9-5-4-8-16(17)10-11-18(20)24-14-19(23)22-13-12-15-6-2-1-3-7-15/h4-6,8-11H,1-3,7,12-14H2,(H,22,23)
InChIKeyKLVTZRSJCHVERP-UHFFFAOYSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 1010848) is 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(COc1ccc2ccccc2c1Br)NCCC1=CCCCC1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is KLVTZRSJCHVERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO2/c21-20-17-9-5-4-8-16(17)10-11-18(20)24-14-19(23)22-13-12-15-6-2-1-3-7-15/h4-6,8-11H,1-3,7,12-14H2,(H,22,23).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 388.31 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 1010848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).