2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide

C17H22N2O3 — CID 24585380

IUPAC2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide
SMILESCCN(C(=O)COc1cc(C)ccc1C(N)=O)C1=CCCC1
InChIInChI=1S/C17H22N2O3/c1-3-19(13-6-4-5-7-13)16(20)11-22-15-10-12(2)8-9-14(15)17(18)21/h6,8-10H,3-5,7,11H2,1-2H3,(H2,18,21)
InChIKeyUOIQQNNTYDUAPJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.39
Rot. Bonds6

About 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide

2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide (PubChem CID 24585380) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide.

Molecular Properties

Compound Name2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide
PubChem CID24585380
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide
SMILESCCN(C(=O)COc1cc(C)ccc1C(N)=O)C1=CCCC1
InChIInChI=1S/C17H22N2O3/c1-3-19(13-6-4-5-7-13)16(20)11-22-15-10-12(2)8-9-14(15)17(18)21/h6,8-10H,3-5,7,11H2,1-2H3,(H2,18,21)
InChIKeyUOIQQNNTYDUAPJ-UHFFFAOYSA-N
XLogP2.39
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014355
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 18193438
4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide
CID 17436521
2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 81223051
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18273291
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382
2-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methylbenzamide
CID 24600784
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide
CID 46681061
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate
CID 18193790
4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 36578757
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8521907

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide?
The IUPAC name of 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide (CID 24585380) is 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide.
What is the SMILES notation for 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide?
The canonical SMILES for 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide is CCN(C(=O)COc1cc(C)ccc1C(N)=O)C1=CCCC1.
What is the InChIKey of 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide?
The InChIKey is UOIQQNNTYDUAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-19(13-6-4-5-7-13)16(20)11-22-15-10-12(2)8-9-14(15)17(18)21/h6,8-10H,3-5,7,11H2,1-2H3,(H2,18,21).
What are the key properties of 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide?
2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide has a molecular weight of 302.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide is sourced from PubChem (CID 24585380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).