2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide

C18H24N2O4 — CID 47014355

IUPAC2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide
SMILESCCN(C(=O)COc1cc(OC)ccc1C(N)=O)C1=CCCCC1
InChIInChI=1S/C18H24N2O4/c1-3-20(13-7-5-4-6-8-13)17(21)12-24-16-11-14(23-2)9-10-15(16)18(19)22/h7,9-11H,3-6,8,12H2,1-2H3,(H2,19,22)
InChIKeyGXQHXEKFFSUOII-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.48
Rot. Bonds7

About 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide

2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide (PubChem CID 47014355) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide
PubChem CID47014355
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide
SMILESCCN(C(=O)COc1cc(OC)ccc1C(N)=O)C1=CCCCC1
InChIInChI=1S/C18H24N2O4/c1-3-20(13-7-5-4-6-8-13)17(21)12-24-16-11-14(23-2)9-10-15(16)18(19)22/h7,9-11H,3-6,8,12H2,1-2H3,(H2,19,22)
InChIKeyGXQHXEKFFSUOII-UHFFFAOYSA-N
XLogP2.48
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide
CID 24585380
2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 61036345
4-methoxy-2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethoxy]benzamide
CID 18143075
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 18193438
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 8512677
2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014349
2-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014357
[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7887046
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide
CID 47014341
2,4-diethoxybenzamide
CID 17145726
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8521907
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18193445

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide?
The IUPAC name of 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide (CID 47014355) is 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide.
What is the SMILES notation for 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide?
The canonical SMILES for 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide is CCN(C(=O)COc1cc(OC)ccc1C(N)=O)C1=CCCCC1.
What is the InChIKey of 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide?
The InChIKey is GXQHXEKFFSUOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-20(13-7-5-4-6-8-13)17(21)12-24-16-11-14(23-2)9-10-15(16)18(19)22/h7,9-11H,3-6,8,12H2,1-2H3,(H2,19,22).
What are the key properties of 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide?
2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide has a molecular weight of 332.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide is sourced from PubChem (CID 47014355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).