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

C26H34N2O2 — CID 24789325

IUPACN-benzyl-2-[(3R,4R)-1-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide
SMILESCCCCCCc1ccc(N2C[C@H](C)[C@@H](CC(=O)NCc3ccccc3)C2=O)cc1
InChIInChI=1S/C26H34N2O2/c1-3-4-5-7-10-21-13-15-23(16-14-21)28-19-20(2)24(26(28)30)17-25(29)27-18-22-11-8-6-9-12-22/h6,8-9,11-16,20,24H,3-5,7,10,17-19H2,1-2H3,(H,27,29)/t20-,24+/m0/s1
InChIKeyVBDFPOUKJZHTBW-GBXCKJPGSA-N
MW406.57 g/mol
LogP5.11
Rot. Bonds10

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

N-benzyl-2-[(3R,4R)-1-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 24789325) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-benzyl-2-[(3R,4R)-1-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R,4R)-1-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide
PubChem CID24789325
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-benzyl-2-[(3R,4R)-1-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide
SMILESCCCCCCc1ccc(N2C[C@H](C)[C@@H](CC(=O)NCc3ccccc3)C2=O)cc1
InChIInChI=1S/C26H34N2O2/c1-3-4-5-7-10-21-13-15-23(16-14-21)28-19-20(2)24(26(28)30)17-25(29)27-18-22-11-8-6-9-12-22/h6,8-9,11-16,20,24H,3-5,7,10,17-19H2,1-2H3,(H,27,29)/t20-,24+/m0/s1
InChIKeyVBDFPOUKJZHTBW-GBXCKJPGSA-N
XLogP5.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.11
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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Related Compounds

N-benzylundecanamide
CID 5078198
carbonic acid;pentylbenzene
CID 157127683
hexylbenzene;hydrogen peroxide
CID 90001206
4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one
CID 22115930
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
N-benzyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51608700
octylbenzene
CID 16607
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3R,4R)-1-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[(3R,4R)-1-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide (CID 24789325) is N-benzyl-2-[(3R,4R)-1-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3R,4R)-1-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(3R,4R)-1-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide is CCCCCCc1ccc(N2C[C@H](C)[C@@H](CC(=O)NCc3ccccc3)C2=O)cc1.
What is the InChIKey of N-benzyl-2-[(3R,4R)-1-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is VBDFPOUKJZHTBW-GBXCKJPGSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-3-4-5-7-10-21-13-15-23(16-14-21)28-19-20(2)24(26(28)30)17-25(29)27-18-22-11-8-6-9-12-22/h6,8-9,11-16,20,24H,3-5,7,10,17-19H2,1-2H3,(H,27,29)/t20-,24+/m0/s1.
What are the key properties of N-benzyl-2-[(3R,4R)-1-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide?
N-benzyl-2-[(3R,4R)-1-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 406.57 g/mol, XLogP of 5.11, 10 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-(4-hexylphenyl)-4-methyl-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 24789325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).