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

C18H26N2O2 — CID 24789377

IUPACN-benzyl-2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide
SMILESCCCCN1C[C@H](C)[C@@H](CC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C18H26N2O2/c1-3-4-10-20-13-14(2)16(18(20)22)11-17(21)19-12-15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3,(H,19,21)/t14-,16+/m0/s1
InChIKeyBGHKUBGLRQLZOP-GOEBONIOSA-N
MW302.42 g/mol
LogP2.59
Rot. Bonds7

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

N-benzyl-2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 24789377) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-benzyl-2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide
PubChem CID24789377
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-benzyl-2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide
SMILESCCCCN1C[C@H](C)[C@@H](CC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C18H26N2O2/c1-3-4-10-20-13-14(2)16(18(20)22)11-17(21)19-12-15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3,(H,19,21)/t14-,16+/m0/s1
InChIKeyBGHKUBGLRQLZOP-GOEBONIOSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Smac peptido-mimetic 6h
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Smac peptido-mimetic 1
CID 11200722

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide (CID 24789377) is N-benzyl-2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide is CCCCN1C[C@H](C)[C@@H](CC(=O)NCc2ccccc2)C1=O.
What is the InChIKey of N-benzyl-2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is BGHKUBGLRQLZOP-GOEBONIOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-4-10-20-13-14(2)16(18(20)22)11-17(21)19-12-15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3,(H,19,21)/t14-,16+/m0/s1.
What are the key properties of N-benzyl-2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide?
N-benzyl-2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 302.42 g/mol, XLogP of 2.59, 7 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-butyl-4-methyl-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 24789377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).