N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide

C22H29N3O3 — CID 110164982

IUPACN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C22H29N3O3/c1-24(19-8-5-9-20(21(19)26)25-12-14-28-15-13-25)22(27)18-11-10-17(23-18)16-6-3-2-4-7-16/h2-4,6-7,10-11,19-21,23,26H,5,8-9,12-15H2,1H3/t19-,20-,21-/m1/s1
InChIKeyJUSFYKQUFNVFRW-NJDAHSKKSA-N
MW383.49 g/mol
LogP2.37
Rot. Bonds4

About N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide

N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 110164982) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide
PubChem CID110164982
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C22H29N3O3/c1-24(19-8-5-9-20(21(19)26)25-12-14-28-15-13-25)22(27)18-11-10-17(23-18)16-6-3-2-4-7-16/h2-4,6-7,10-11,19-21,23,26H,5,8-9,12-15H2,1H3/t19-,20-,21-/m1/s1
InChIKeyJUSFYKQUFNVFRW-NJDAHSKKSA-N
XLogP2.37
TPSA68.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

3-(4-fluorophenyl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 110165005
5-(4-fluorophenyl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 110164987
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide
CID 110128117
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide
CID 171147093
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 110164801
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide
CID 110164811
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 110128109
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide
CID 110127624
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylisoquinoline-1-carboxamide
CID 110127623
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 110164803
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
CID 171147140
[(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone
CID 125474477

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide (CID 110164982) is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide is CN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is JUSFYKQUFNVFRW-NJDAHSKKSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-24(19-8-5-9-20(21(19)26)25-12-14-28-15-13-25)22(27)18-11-10-17(23-18)16-6-3-2-4-7-16/h2-4,6-7,10-11,19-21,23,26H,5,8-9,12-15H2,1H3/t19-,20-,21-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide?
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110164982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).