[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate

C22H24N2O4 — CID 7749935

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)NC(=O)NC1CCCC1
InChIInChI=1S/C22H24N2O4/c25-19(24-22(27)23-18-13-7-8-14-18)15-28-21(26)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,18,20H,7-8,13-15H2,(H2,23,24,25,27)
InChIKeyMUQQERTYJSYCFD-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.13
Rot. Bonds6

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate (PubChem CID 7749935) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
PubChem CID7749935
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)NC(=O)NC1CCCC1
InChIInChI=1S/C22H24N2O4/c25-19(24-22(27)23-18-13-7-8-14-18)15-28-21(26)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,18,20H,7-8,13-15H2,(H2,23,24,25,27)
InChIKeyMUQQERTYJSYCFD-UHFFFAOYSA-N
XLogP3.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842805
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 46661496
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772661
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772669
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132649
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55324727
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
[2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 30535045
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919629
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849453
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983827

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate (CID 7749935) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate is O=C(COC(=O)C(c1ccccc1)c1ccccc1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate?
The InChIKey is MUQQERTYJSYCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-19(24-22(27)23-18-13-7-8-14-18)15-28-21(26)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,18,20H,7-8,13-15H2,(H2,23,24,25,27).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate has a molecular weight of 380.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate is sourced from PubChem (CID 7749935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).