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

C20H28N2O2 — CID 24793591

IUPACN-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide
SMILESC[C@H]1CN(C2CCCCC2)C(=O)[C@@H]1CC(=O)NCc1ccccc1
InChIInChI=1S/C20H28N2O2/c1-15-14-22(17-10-6-3-7-11-17)20(24)18(15)12-19(23)21-13-16-8-4-2-5-9-16/h2,4-5,8-9,15,17-18H,3,6-7,10-14H2,1H3,(H,21,23)/t15-,18+/m0/s1
InChIKeyIZMNRFUFEABBJL-MAUKXSAKSA-N
MW328.46 g/mol
LogP3.12
Rot. Bonds5

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

N-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 24793591) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide
PubChem CID24793591
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide
SMILESC[C@H]1CN(C2CCCCC2)C(=O)[C@@H]1CC(=O)NCc1ccccc1
InChIInChI=1S/C20H28N2O2/c1-15-14-22(17-10-6-3-7-11-17)20(24)18(15)12-19(23)21-13-16-8-4-2-5-9-16/h2,4-5,8-9,15,17-18H,3,6-7,10-14H2,1H3,(H,21,23)/t15-,18+/m0/s1
InChIKeyIZMNRFUFEABBJL-MAUKXSAKSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide (CID 24793591) is N-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide is C[C@H]1CN(C2CCCCC2)C(=O)[C@@H]1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is IZMNRFUFEABBJL-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-14-22(17-10-6-3-7-11-17)20(24)18(15)12-19(23)21-13-16-8-4-2-5-9-16/h2,4-5,8-9,15,17-18H,3,6-7,10-14H2,1H3,(H,21,23)/t15-,18+/m0/s1.
What are the key properties of N-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide?
N-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 328.46 g/mol, XLogP of 3.12, 5 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-4-methyl-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 24793591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).