N-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide

C24H36N2O — CID 71713352

IUPACN-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H36N2O/c27-24(21-14-8-3-9-15-21)25-23-18-26(16-19-10-4-1-5-11-19)17-22(23)20-12-6-2-7-13-20/h1,4-5,10-11,20-23H,2-3,6-9,12-18H2,(H,25,27)/t22-,23+/m0/s1
InChIKeyHVPHDMFQQWNTIG-XZOQPEGZSA-N
MW368.57 g/mol
LogP4.76
Rot. Bonds5

About N-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide

N-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide (PubChem CID 71713352) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is N-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide
PubChem CID71713352
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC NameN-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H36N2O/c27-24(21-14-8-3-9-15-21)25-23-18-26(16-19-10-4-1-5-11-19)17-22(23)20-12-6-2-7-13-20/h1,4-5,10-11,20-23H,2-3,6-9,12-18H2,(H,25,27)/t22-,23+/m0/s1
InChIKeyHVPHDMFQQWNTIG-XZOQPEGZSA-N
XLogP4.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide (CID 71713352) is N-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide is O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide?
The InChIKey is HVPHDMFQQWNTIG-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H36N2O/c27-24(21-14-8-3-9-15-21)25-23-18-26(16-19-10-4-1-5-11-19)17-22(23)20-12-6-2-7-13-20/h1,4-5,10-11,20-23H,2-3,6-9,12-18H2,(H,25,27)/t22-,23+/m0/s1.
What are the key properties of N-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide?
N-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide has a molecular weight of 368.57 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-benzyl-4-cyclohexylpyrrolidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 71713352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).