4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide

C18H24N2O3 — CID 17436521

IUPAC4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide
SMILESCCCN(C(=O)COc1ccc(C(N)=O)cc1)C1=CCCCC1
InChIInChI=1S/C18H24N2O3/c1-2-12-20(15-6-4-3-5-7-15)17(21)13-23-16-10-8-14(9-11-16)18(19)22/h6,8-11H,2-5,7,12-13H2,1H3,(H2,19,22)
InChIKeyXIOIZBJORDPHPP-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.86
Rot. Bonds7

About 4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide

4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide (PubChem CID 17436521) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide
PubChem CID17436521
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide
SMILESCCCN(C(=O)COc1ccc(C(N)=O)cc1)C1=CCCCC1
InChIInChI=1S/C18H24N2O3/c1-2-12-20(15-6-4-3-5-7-15)17(21)13-23-16-10-8-14(9-11-16)18(19)22/h6,8-11H,2-5,7,12-13H2,1H3,(H2,19,22)
InChIKeyXIOIZBJORDPHPP-UHFFFAOYSA-N
XLogP2.86
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 61036345
4-[2-(dipropylamino)-2-oxoethoxy]benzamide
CID 8566203
2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014355
2-chloro-N-(cyclopenten-1-yl)-N-propylacetamide
CID 4962153
4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 8566212
N-(cyclopenten-1-yl)-N-methyl-2-[4-(methylaminomethyl)phenoxy]acetamide
CID 106486164
2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide
CID 43268912
N-(cyclopenten-1-yl)-N-methyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908869
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 18138750
4-(4-ethoxyphenyl)benzamide
CID 163572533
N-(cyclopenten-1-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
CID 8682505
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7628919

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide (CID 17436521) is 4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide is CCCN(C(=O)COc1ccc(C(N)=O)cc1)C1=CCCCC1.
What is the InChIKey of 4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide?
The InChIKey is XIOIZBJORDPHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-12-20(15-6-4-3-5-7-15)17(21)13-23-16-10-8-14(9-11-16)18(19)22/h6,8-11H,2-5,7,12-13H2,1H3,(H2,19,22).
What are the key properties of 4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide?
4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide has a molecular weight of 316.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 17436521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).