5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide

C21H27N3O4 — CID 174178510

IUPAC5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
SMILESCNC(=O)c1[nH]c(C(=O)NC2CCC(O)CC2)cc1O[C@H](C)c1ccccc1
InChIInChI=1S/C21H27N3O4/c1-13(14-6-4-3-5-7-14)28-18-12-17(24-19(18)21(27)22-2)20(26)23-15-8-10-16(25)11-9-15/h3-7,12-13,15-16,24-25H,8-11H2,1-2H3,(H,22,27)(H,23,26)/t13-,15?,16?/m1/s1
InChIKeyXXNSIMCKUVEXKU-IUDNXUCKSA-N
MW385.46 g/mol
LogP2.55
Rot. Bonds6

About 5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide

5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide (PubChem CID 174178510) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
PubChem CID174178510
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
SMILESCNC(=O)c1[nH]c(C(=O)NC2CCC(O)CC2)cc1O[C@H](C)c1ccccc1
InChIInChI=1S/C21H27N3O4/c1-13(14-6-4-3-5-7-14)28-18-12-17(24-19(18)21(27)22-2)20(26)23-15-8-10-16(25)11-9-15/h3-7,12-13,15-16,24-25H,8-11H2,1-2H3,(H,22,27)(H,23,26)/t13-,15?,16?/m1/s1
InChIKeyXXNSIMCKUVEXKU-IUDNXUCKSA-N
XLogP2.55
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide with MolForge

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Related Compounds

5-N-[(1S,3S)-3-hydroxycyclopentyl]-2-N-methyl-3-[(1S)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735592
2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide
CID 170735550
5-N-(3,3-difluorocyclobutyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735617
5-N-[(1S)-3,3-difluorocyclopentyl]-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide;molecular hydrogen
CID 170735779
2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide
CID 174177876
5-N-(1-bicyclo[1.1.1]pentanyl)-2-N-methyl-3-[(1S)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735431
3-[1-(4-chlorophenyl)ethoxy]-5-N-cyclopropyl-2-N-[3-[[5-(methylcarbamoyl)-4-[1-(4-methylphenyl)ethoxy]-1H-pyrrole-2-carbonyl]amino]butyl]-1H-pyrrole-2,5-dicarboxamide
CID 170735432
3-[(1S)-1-(4-chloro-2-fluorophenyl)ethoxy]-5-N-cyclobutyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735402
5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735483
3-[1-(4-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735497
ethyl 4-[1-(4-chlorophenyl)ethoxy]-5-(methylcarbamoyl)-1H-pyrrole-2-carboxylate
CID 170735399
3-[(1R)-1-(3,4-difluorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735513

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide?
The IUPAC name of 5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide (CID 174178510) is 5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide?
The canonical SMILES for 5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide is CNC(=O)c1[nH]c(C(=O)NC2CCC(O)CC2)cc1O[C@H](C)c1ccccc1.
What is the InChIKey of 5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide?
The InChIKey is XXNSIMCKUVEXKU-IUDNXUCKSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-13(14-6-4-3-5-7-14)28-18-12-17(24-19(18)21(27)22-2)20(26)23-15-8-10-16(25)11-9-15/h3-7,12-13,15-16,24-25H,8-11H2,1-2H3,(H,22,27)(H,23,26)/t13-,15?,16?/m1/s1.
What are the key properties of 5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide?
5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-hydroxycyclohexyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 174178510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).