N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide

C16H21NO2 — CID 841008

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C16H21NO2/c1-19-15-9-5-8-14(12-15)16(18)17-11-10-13-6-3-2-4-7-13/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,17,18)
InChIKeyGMNVFEWSZLMHGA-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide

N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide (PubChem CID 841008) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide
PubChem CID841008
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C16H21NO2/c1-19-15-9-5-8-14(12-15)16(18)17-11-10-13-6-3-2-4-7-13/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,17,18)
InChIKeyGMNVFEWSZLMHGA-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.32
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 N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide (CID 841008) is N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide?
The InChIKey is GMNVFEWSZLMHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-15-9-5-8-14(12-15)16(18)17-11-10-13-6-3-2-4-7-13/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide has a molecular weight of 259.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 841008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).