1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide

C17H24N2O2 — CID 175830192

IUPAC1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide
SMILESNC(=O)C1CN(C2CCCCC2)CC1(O)c1ccccc1
InChIInChI=1S/C17H24N2O2/c18-16(20)15-11-19(14-9-5-2-6-10-14)12-17(15,21)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,21H,2,5-6,9-12H2,(H2,18,20)
InChIKeyMJQVPRZMHHPRPT-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.62
Rot. Bonds3

About 1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide

1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide (PubChem CID 175830192) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide
PubChem CID175830192
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide
SMILESNC(=O)C1CN(C2CCCCC2)CC1(O)c1ccccc1
InChIInChI=1S/C17H24N2O2/c18-16(20)15-11-19(14-9-5-2-6-10-14)12-17(15,21)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,21H,2,5-6,9-12H2,(H2,18,20)
InChIKeyMJQVPRZMHHPRPT-UHFFFAOYSA-N
XLogP1.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide (CID 175830192) is 1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide is NC(=O)C1CN(C2CCCCC2)CC1(O)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is MJQVPRZMHHPRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-16(20)15-11-19(14-9-5-2-6-10-14)12-17(15,21)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,21H,2,5-6,9-12H2,(H2,18,20).
What are the key properties of 1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide?
1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 175830192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).