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

C17H23NO2 — CID 68510169

IUPAC2-(cyclohexen-1-yl)-4-(2-methoxypropan-2-yl)benzamide
SMILESCOC(C)(C)c1ccc(C(N)=O)c(C2=CCCCC2)c1
InChIInChI=1S/C17H23NO2/c1-17(2,20-3)13-9-10-14(16(18)19)15(11-13)12-7-5-4-6-8-12/h7,9-11H,4-6,8H2,1-3H3,(H2,18,19)
InChIKeyRQPVXHGFROWKEI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.62
Rot. Bonds4

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

2-(cyclohexen-1-yl)-4-(2-methoxypropan-2-yl)benzamide (PubChem CID 68510169) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-(2-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-(2-methoxypropan-2-yl)benzamide
PubChem CID68510169
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(cyclohexen-1-yl)-4-(2-methoxypropan-2-yl)benzamide
SMILESCOC(C)(C)c1ccc(C(N)=O)c(C2=CCCCC2)c1
InChIInChI=1S/C17H23NO2/c1-17(2,20-3)13-9-10-14(16(18)19)15(11-13)12-7-5-4-6-8-12/h7,9-11H,4-6,8H2,1-3H3,(H2,18,19)
InChIKeyRQPVXHGFROWKEI-UHFFFAOYSA-N
XLogP3.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.62
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-methoxypropan-2-yl)benzamide?
The IUPAC name of 2-(cyclohexen-1-yl)-4-(2-methoxypropan-2-yl)benzamide (CID 68510169) is 2-(cyclohexen-1-yl)-4-(2-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-(2-methoxypropan-2-yl)benzamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-(2-methoxypropan-2-yl)benzamide is COC(C)(C)c1ccc(C(N)=O)c(C2=CCCCC2)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-(2-methoxypropan-2-yl)benzamide?
The InChIKey is RQPVXHGFROWKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,20-3)13-9-10-14(16(18)19)15(11-13)12-7-5-4-6-8-12/h7,9-11H,4-6,8H2,1-3H3,(H2,18,19).
What are the key properties of 2-(cyclohexen-1-yl)-4-(2-methoxypropan-2-yl)benzamide?
2-(cyclohexen-1-yl)-4-(2-methoxypropan-2-yl)benzamide has a molecular weight of 273.38 g/mol, XLogP of 3.62, 4 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-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 68510169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).