N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide

C24H36N2O2 — CID 24793758

IUPACN-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide
SMILESCCCCC[C@H]1CN(C2CCCCC2)C(=O)[C@@H]1CC(=O)NCc1ccccc1
InChIInChI=1S/C24H36N2O2/c1-2-3-6-13-20-18-26(21-14-9-5-10-15-21)24(28)22(20)16-23(27)25-17-19-11-7-4-8-12-19/h4,7-8,11-12,20-22H,2-3,5-6,9-10,13-18H2,1H3,(H,25,27)/t20-,22+/m0/s1
InChIKeyCDFQQZIKYMBBBH-RBBKRZOGSA-N
MW384.56 g/mol
LogP4.68
Rot. Bonds9

About N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide

N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide (PubChem CID 24793758) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide
PubChem CID24793758
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC NameN-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide
SMILESCCCCC[C@H]1CN(C2CCCCC2)C(=O)[C@@H]1CC(=O)NCc1ccccc1
InChIInChI=1S/C24H36N2O2/c1-2-3-6-13-20-18-26(21-14-9-5-10-15-21)24(28)22(20)16-23(27)25-17-19-11-7-4-8-12-19/h4,7-8,11-12,20-22H,2-3,5-6,9-10,13-18H2,1H3,(H,25,27)/t20-,22+/m0/s1
InChIKeyCDFQQZIKYMBBBH-RBBKRZOGSA-N
XLogP4.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide (CID 24793758) is N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide is CCCCC[C@H]1CN(C2CCCCC2)C(=O)[C@@H]1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide?
The InChIKey is CDFQQZIKYMBBBH-RBBKRZOGSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-2-3-6-13-20-18-26(21-14-9-5-10-15-21)24(28)22(20)16-23(27)25-17-19-11-7-4-8-12-19/h4,7-8,11-12,20-22H,2-3,5-6,9-10,13-18H2,1H3,(H,25,27)/t20-,22+/m0/s1.
What are the key properties of N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide?
N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide has a molecular weight of 384.56 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 24793758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).