[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate

C19H21N3O4 — CID 8549755

IUPAC[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C19H21N3O4/c23-17(12-26-19(25)16-10-5-11-20-16)22-15-9-4-3-8-14(15)18(24)21-13-6-1-2-7-13/h3-5,8-11,13,20H,1-2,6-7,12H2,(H,21,24)(H,22,23)
InChIKeyDCAYOFWYOQFVTA-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.48
Rot. Bonds6

About [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate

[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate (PubChem CID 8549755) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
PubChem CID8549755
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C19H21N3O4/c23-17(12-26-19(25)16-10-5-11-20-16)22-15-9-4-3-8-14(15)18(24)21-13-6-1-2-7-13/h3-5,8-11,13,20H,1-2,6-7,12H2,(H,21,24)(H,22,23)
InChIKeyDCAYOFWYOQFVTA-UHFFFAOYSA-N
XLogP2.48
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 16539773
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 7813805
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-amino-5-bromobenzoate
CID 24557017
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634261
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-ethylsulfinylbenzoate
CID 55490539
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 40813966
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842017
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 16500353
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515793
[2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8543923
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7239213

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The IUPAC name of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate (CID 8549755) is [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate is O=C(COC(=O)c1ccc[nH]1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The InChIKey is DCAYOFWYOQFVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-17(12-26-19(25)16-10-5-11-20-16)22-15-9-4-3-8-14(15)18(24)21-13-6-1-2-7-13/h3-5,8-11,13,20H,1-2,6-7,12H2,(H,21,24)(H,22,23).
What are the key properties of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 8549755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).