[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate

C21H24N2O5 — CID 40685603

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate
SMILESO=C(COC(=O)CCc1ccc(-c2ccccc2)o1)NC(=O)NC1CCCC1
InChIInChI=1S/C21H24N2O5/c24-19(23-21(26)22-16-8-4-5-9-16)14-27-20(25)13-11-17-10-12-18(28-17)15-6-2-1-3-7-15/h1-3,6-7,10,12,16H,4-5,8-9,11,13-14H2,(H2,22,23,24,26)
InChIKeySCYABHNPYPIHMC-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.19
Rot. Bonds7

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate (PubChem CID 40685603) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate
PubChem CID40685603
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate
SMILESO=C(COC(=O)CCc1ccc(-c2ccccc2)o1)NC(=O)NC1CCCC1
InChIInChI=1S/C21H24N2O5/c24-19(23-21(26)22-16-8-4-5-9-16)14-27-20(25)13-11-17-10-12-18(28-17)15-6-2-1-3-7-15/h1-3,6-7,10,12,16H,4-5,8-9,11,13-14H2,(H2,22,23,24,26)
InChIKeySCYABHNPYPIHMC-UHFFFAOYSA-N
XLogP3.19
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524467
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919629
phenacyl 3-(5-phenylfuran-2-yl)propanoate
CID 40689141
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139997
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193776
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749935
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 46789069
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 2501665
[2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(5-phenylfuran-2-yl)propanoate
CID 46691098
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701620
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840574

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate (CID 40685603) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate is O=C(COC(=O)CCc1ccc(-c2ccccc2)o1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate?
The InChIKey is SCYABHNPYPIHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c24-19(23-21(26)22-16-8-4-5-9-16)14-27-20(25)13-11-17-10-12-18(28-17)15-6-2-1-3-7-15/h1-3,6-7,10,12,16H,4-5,8-9,11,13-14H2,(H2,22,23,24,26).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate has a molecular weight of 384.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate is sourced from PubChem (CID 40685603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).