ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate

C19H24N2O3 — CID 680303

IUPACethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H24N2O3/c1-2-24-19(23)16-13-21(15-11-7-4-8-12-15)18(22)17(16)20-14-9-5-3-6-10-14/h4,7-8,11-12,14,20H,2-3,5-6,9-10,13H2,1H3
InChIKeyIWSPORRMATXZQL-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.77
Rot. Bonds5

About ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate

ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate (PubChem CID 680303) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
PubChem CID680303
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H24N2O3/c1-2-24-19(23)16-13-21(15-11-7-4-8-12-15)18(22)17(16)20-14-9-5-3-6-10-14/h4,7-8,11-12,14,20H,2-3,5-6,9-10,13H2,1H3
InChIKeyIWSPORRMATXZQL-UHFFFAOYSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{3-[butyl(phenyl)amino]propyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3235619
Ethyl 4-{[2-(dimethylamino)ethyl]amino}-2-hydroxyquinoline-3-carboxylate
CID 913126
3,11-dimethyl-4,5,10,11-tetrahydropyrano[4,3-b][1,5]benzodiazepin-1(3H)-one
CID 3528549
ethyl 4-(cyclohexylamino)-1-(3,4-dimethylphenyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 66572298
ethyl 1-(4-bromophenyl)-4-(cyclohexylamino)-5-oxo-2H-pyrrole-3-carboxylate
CID 66572414
Ethyl 3-(4-bromophenylamino)-1-(4-bromophenyl)-2,5-dihydro-2-oxo-1h-pyrrole-4-carboxylate
CID 70683955
1H-Pyrrole-3-carboxylic acid, 2,5-dihydro-1-methyl-5-oxo-4-((4-(phenylthio)phenyl)amino)-, ethyl ester
CID 3060103
1H-Pyrrole-3-carboxylic acid, 2,5-dihydro-1-(1-methylethyl)-5-oxo-4-((4-(phenylthio)phenyl)amino)-, ethyl ester
CID 3060104
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxo-2H-pyran-5-carboxamide
CID 660628
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2363535
N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide
CID 3243334
ethyl 1-tert-butyl-4-(4-fluoroanilino)-5-oxo-2H-pyrrole-3-carboxylate
CID 339738

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate (CID 680303) is ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2ccccc2)C1.
What is the InChIKey of ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate?
The InChIKey is IWSPORRMATXZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-24-19(23)16-13-21(15-11-7-4-8-12-15)18(22)17(16)20-14-9-5-3-6-10-14/h4,7-8,11-12,14,20H,2-3,5-6,9-10,13H2,1H3.
What are the key properties of ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate?
ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 680303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).