2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide

C17H23NO2 — CID 68831960

IUPAC2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide
SMILESCOC(C)Cc1ccc(C(N)=O)c(C2=CCCCC2)c1
InChIInChI=1S/C17H23NO2/c1-12(20-2)10-13-8-9-15(17(18)19)16(11-13)14-6-4-3-5-7-14/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H2,18,19)
InChIKeyPFWSVDCEIUISKK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.32
Rot. Bonds5

About 2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide

2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide (PubChem CID 68831960) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide
PubChem CID68831960
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide
SMILESCOC(C)Cc1ccc(C(N)=O)c(C2=CCCCC2)c1
InChIInChI=1S/C17H23NO2/c1-12(20-2)10-13-8-9-15(17(18)19)16(11-13)14-6-4-3-5-7-14/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H2,18,19)
InChIKeyPFWSVDCEIUISKK-UHFFFAOYSA-N
XLogP3.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide?
The IUPAC name of 2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide (CID 68831960) is 2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide is COC(C)Cc1ccc(C(N)=O)c(C2=CCCCC2)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide?
The InChIKey is PFWSVDCEIUISKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(20-2)10-13-8-9-15(17(18)19)16(11-13)14-6-4-3-5-7-14/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H2,18,19).
What are the key properties of 2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide?
2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide has a molecular weight of 273.38 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 2-(cyclohexen-1-yl)-4-(2-methoxypropyl)benzamide is sourced from PubChem (CID 68831960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).