2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide

C17H24N2O2 — CID 56791128

IUPAC2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(O)CC1C1CCCCC1
InChIInChI=1S/C17H24N2O2/c20-15-11-16(13-7-3-1-4-8-13)19(12-15)17(21)18-14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16,20H,1,3-4,7-8,11-12H2,(H,18,21)
InChIKeyBALGFRMYMVTUAU-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.23
Rot. Bonds2

About 2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide

2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide (PubChem CID 56791128) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide
PubChem CID56791128
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(O)CC1C1CCCCC1
InChIInChI=1S/C17H24N2O2/c20-15-11-16(13-7-3-1-4-8-13)19(12-15)17(21)18-14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16,20H,1,3-4,7-8,11-12H2,(H,18,21)
InChIKeyBALGFRMYMVTUAU-UHFFFAOYSA-N
XLogP3.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 25253914
CID 25253914
CID 25253915
CID 25253915
CID 25253916
CID 25253916
CID 44231252
CID 44231252
CID 44254588
CID 44254588
CID 44254590
CID 44254590
CID 44254675
CID 44254675
CID 44254777
CID 44254777
CID 44254860
CID 44254860
CID 44254964
CID 44254964
CID 44255050
CID 44255050
CID 44255052
CID 44255052

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide (CID 56791128) is 2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide is O=C(Nc1ccccc1)N1CC(O)CC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is BALGFRMYMVTUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-15-11-16(13-7-3-1-4-8-13)19(12-15)17(21)18-14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16,20H,1,3-4,7-8,11-12H2,(H,18,21).
What are the key properties of 2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide?
2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-hydroxy-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 56791128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).