4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide

C22H26N2O3 — CID 47013997

IUPAC4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
SMILESO=C(NCCCCOc1ccccc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C22H26N2O3/c25-21-9-6-15-24(21)17-18-10-12-19(13-11-18)22(26)23-14-4-5-16-27-20-7-2-1-3-8-20/h1-3,7-8,10-13H,4-6,9,14-17H2,(H,23,26)
InChIKeyLIIGDMNSPBQOIW-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.40
Rot. Bonds9

About 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide

4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide (PubChem CID 47013997) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide.

Molecular Properties

Compound Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
PubChem CID47013997
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
SMILESO=C(NCCCCOc1ccccc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C22H26N2O3/c25-21-9-6-15-24(21)17-18-10-12-19(13-11-18)22(26)23-14-4-5-16-27-20-7-2-1-3-8-20/h1-3,7-8,10-13H,4-6,9,14-17H2,(H,23,26)
InChIKeyLIIGDMNSPBQOIW-UHFFFAOYSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
N-[3-(dimethylamino)propyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43910375
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 51195842
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 50815808
N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32644603
N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 86990134
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide?
The IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide (CID 47013997) is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide.
What is the SMILES notation for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide?
The canonical SMILES for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide is O=C(NCCCCOc1ccccc1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide?
The InChIKey is LIIGDMNSPBQOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21-9-6-15-24(21)17-18-10-12-19(13-11-18)22(26)23-14-4-5-16-27-20-7-2-1-3-8-20/h1-3,7-8,10-13H,4-6,9,14-17H2,(H,23,26).
What are the key properties of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide?
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide is sourced from PubChem (CID 47013997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).