N-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide

C19H27NO3 — CID 976122

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCC2=CCCCC2)cc1OCC
InChIInChI=1S/C19H27NO3/c1-3-22-17-11-10-16(14-18(17)23-4-2)19(21)20-13-12-15-8-6-5-7-9-15/h8,10-11,14H,3-7,9,12-13H2,1-2H3,(H,20,21)
InChIKeyXVRVETZIKKTCJF-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.10
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide

N-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide (PubChem CID 976122) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide
PubChem CID976122
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCC2=CCCCC2)cc1OCC
InChIInChI=1S/C19H27NO3/c1-3-22-17-11-10-16(14-18(17)23-4-2)19(21)20-13-12-15-8-6-5-7-9-15/h8,10-11,14H,3-7,9,12-13H2,1-2H3,(H,20,21)
InChIKeyXVRVETZIKKTCJF-UHFFFAOYSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.10
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]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide (CID 976122) is N-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1OCC.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide?
The InChIKey is XVRVETZIKKTCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-22-17-11-10-16(14-18(17)23-4-2)19(21)20-13-12-15-8-6-5-7-9-15/h8,10-11,14H,3-7,9,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide?
N-[2-(cyclohexen-1-yl)ethyl]-3,4-diethoxybenzamide has a molecular weight of 317.43 g/mol, XLogP of 4.10, 8 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]-3,4-diethoxybenzamide is sourced from PubChem (CID 976122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).