[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate

C18H24N2O4 — CID 9202924

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)CC2CCCC2)c1
InChIInChI=1S/C18H24N2O4/c1-2-19-18(23)14-8-5-9-15(11-14)20-16(21)12-24-17(22)10-13-6-3-4-7-13/h5,8-9,11,13H,2-4,6-7,10,12H2,1H3,(H,19,23)(H,20,21)
InChIKeyXUFXSZFLJDIBQZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.50
Rot. Bonds7

About [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 9202924) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
PubChem CID9202924
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)CC2CCCC2)c1
InChIInChI=1S/C18H24N2O4/c1-2-19-18(23)14-8-5-9-15(11-14)20-16(21)12-24-17(22)10-13-6-3-4-7-13/h5,8-9,11,13H,2-4,6-7,10,12H2,1H3,(H,19,23)(H,20,21)
InChIKeyXUFXSZFLJDIBQZ-UHFFFAOYSA-N
XLogP2.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46672278
[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722315
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21175115
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 34328308
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-bromobenzoate
CID 9017331
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197048
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335752
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847291
1-O-ethyl 4-O-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (E)-but-2-enedioate
CID 9015321
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 27893664
N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 61364037

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate (CID 9202924) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate is CCNC(=O)c1cccc(NC(=O)COC(=O)CC2CCCC2)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is XUFXSZFLJDIBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-19-18(23)14-8-5-9-15(11-14)20-16(21)12-24-17(22)10-13-6-3-4-7-13/h5,8-9,11,13H,2-4,6-7,10,12H2,1H3,(H,19,23)(H,20,21).
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 332.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 9202924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).