3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide

C26H34N4O4 — CID 67504582

IUPAC3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide
SMILESCCCn1ccc(NC(=O)C(CC2CCCCC2)N2CC(Oc3ccccc3OC)=CC2=O)n1
InChIInChI=1S/C26H34N4O4/c1-3-14-29-15-13-24(28-29)27-26(32)21(16-19-9-5-4-6-10-19)30-18-20(17-25(30)31)34-23-12-8-7-11-22(23)33-2/h7-8,11-13,15,17,19,21H,3-6,9-10,14,16,18H2,1-2H3,(H,27,28,32)
InChIKeyCSNIUUQMQIZUDE-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.38
Rot. Bonds10

About 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide

3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide (PubChem CID 67504582) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide
PubChem CID67504582
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide
SMILESCCCn1ccc(NC(=O)C(CC2CCCCC2)N2CC(Oc3ccccc3OC)=CC2=O)n1
InChIInChI=1S/C26H34N4O4/c1-3-14-29-15-13-24(28-29)27-26(32)21(16-19-9-5-4-6-10-19)30-18-20(17-25(30)31)34-23-12-8-7-11-22(23)33-2/h7-8,11-13,15,17,19,21H,3-6,9-10,14,16,18H2,1-2H3,(H,27,28,32)
InChIKeyCSNIUUQMQIZUDE-UHFFFAOYSA-N
XLogP4.38
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-(2-butylphenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 66899900
2-[3-(2-chloro-3-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]propanamide
CID 66899999
3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoic acid
CID 66894847
methyl (2S)-3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]propanoate
CID 66895519
[5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate
CID 151948623
3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 66898726
2-[3-(3-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 66899118
3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide
CID 66899088
(2R)-2-[3-(2-chloro-3-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[(2,2-dimethyl-1,3-dioxol-4-yl)methyl]pyrazol-3-yl]-3-(oxan-4-yl)propanamide
CID 141246914
2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide
CID 66899398
2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide
CID 129016863
3-cyclohexyl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 67504742

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide?
The IUPAC name of 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide (CID 67504582) is 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide is CCCn1ccc(NC(=O)C(CC2CCCCC2)N2CC(Oc3ccccc3OC)=CC2=O)n1.
What is the InChIKey of 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide?
The InChIKey is CSNIUUQMQIZUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-3-14-29-15-13-24(28-29)27-26(32)21(16-19-9-5-4-6-10-19)30-18-20(17-25(30)31)34-23-12-8-7-11-22(23)33-2/h7-8,11-13,15,17,19,21H,3-6,9-10,14,16,18H2,1-2H3,(H,27,28,32).
What are the key properties of 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide?
3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide has a molecular weight of 466.58 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide is sourced from PubChem (CID 67504582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).