[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C28H28N2O5 — CID 16500353

IUPAC[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C28H28N2O5/c31-25(30-24-18-10-9-17-23(24)26(32)29-22-15-7-8-16-22)19-35-27(33)28(34,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-6,9-14,17-18,22,34H,7-8,15-16,19H2,(H,29,32)(H,30,31)
InChIKeyAXRRSHCYVXPHRT-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.78
Rot. Bonds8

About [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 16500353) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID16500353
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C28H28N2O5/c31-25(30-24-18-10-9-17-23(24)26(32)29-22-15-7-8-16-22)19-35-27(33)28(34,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-6,9-14,17-18,22,34H,7-8,15-16,19H2,(H,29,32)(H,30,31)
InChIKeyAXRRSHCYVXPHRT-UHFFFAOYSA-N
XLogP3.78
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2676355
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 16539773
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549755
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 7813805
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 7778930
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842017
trans-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8020791
2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
CID 60662463
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 7838966
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 24557188

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 16500353) is [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is AXRRSHCYVXPHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c31-25(30-24-18-10-9-17-23(24)26(32)29-22-15-7-8-16-22)19-35-27(33)28(34,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-6,9-14,17-18,22,34H,7-8,15-16,19H2,(H,29,32)(H,30,31).
What are the key properties of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 472.54 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 16500353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).