[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate

C20H23NO3 — CID 7751597

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H23NO3/c22-19(14-24-20(23)12-9-15-5-1-2-6-15)21-18-11-10-16-7-3-4-8-17(16)13-18/h3-4,7-8,10-11,13,15H,1-2,5-6,9,12,14H2,(H,21,22)
InChIKeyUBFACLUJTSPQMT-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.29
Rot. Bonds6

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 7751597) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID7751597
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H23NO3/c22-19(14-24-20(23)12-9-15-5-1-2-6-15)21-18-11-10-16-7-3-4-8-17(16)13-18/h3-4,7-8,10-11,13,15H,1-2,5-6,9,12,14H2,(H,21,22)
InChIKeyUBFACLUJTSPQMT-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 3952183
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2098588
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2435257
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580497
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197048
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734144
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8551549
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate
CID 7695749
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580413
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 23307090
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 7751597) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate is O=C(COC(=O)CCC1CCCC1)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is UBFACLUJTSPQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-19(14-24-20(23)12-9-15-5-1-2-6-15)21-18-11-10-16-7-3-4-8-17(16)13-18/h3-4,7-8,10-11,13,15H,1-2,5-6,9,12,14H2,(H,21,22).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 325.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 7751597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).