4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid

C20H26N2O4 — CID 175265380

IUPAC4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESCCC1C(C(=O)O)=C(NC2CCCCC2)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4/c1-3-16-17(20(24)25)18(21-13-7-5-4-6-8-13)19(23)22(16)14-9-11-15(26-2)12-10-14/h9-13,16,21H,3-8H2,1-2H3,(H,24,25)
InChIKeyQQDOIARKKMNSGQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.08
Rot. Bonds6

About 4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid

4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid (PubChem CID 175265380) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid
PubChem CID175265380
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESCCC1C(C(=O)O)=C(NC2CCCCC2)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4/c1-3-16-17(20(24)25)18(21-13-7-5-4-6-8-13)19(23)22(16)14-9-11-15(26-2)12-10-14/h9-13,16,21H,3-8H2,1-2H3,(H,24,25)
InChIKeyQQDOIARKKMNSGQ-UHFFFAOYSA-N
XLogP3.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-4-(cyclohexylamino)-2-ethyl-5-oxo-2H-pyrrole-3-carboxylic acid
CID 174617924
2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-3,4-dioxocyclobuten-1-yl]amino]piperidine-1-carboxylate
CID 46260416
(3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(4-methoxyphenyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 164671627
(2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 9398550
ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 162674101
N-cyclohexyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 15993815
(3S,4S)-4-cyclohexyl-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
CID 11054921
6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde
CID 167863799
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100516413
[5-(cyclohexylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109183140

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid (CID 175265380) is 4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid is CCC1C(C(=O)O)=C(NC2CCCCC2)C(=O)N1c1ccc(OC)cc1.
What is the InChIKey of 4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid?
The InChIKey is QQDOIARKKMNSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-16-17(20(24)25)18(21-13-7-5-4-6-8-13)19(23)22(16)14-9-11-15(26-2)12-10-14/h9-13,16,21H,3-8H2,1-2H3,(H,24,25).
What are the key properties of 4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid?
4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-ethyl-1-(4-methoxyphenyl)-5-oxo-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 175265380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).