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

C22H22N2O3 — CID 18086673

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(NC(=O)c1ccc(CN2CCCC2=O)cc1)c1cc2ccccc2o1
InChIInChI=1S/C22H22N2O3/c1-15(20-13-18-5-2-3-6-19(18)27-20)23-22(26)17-10-8-16(9-11-17)14-24-12-4-7-21(24)25/h2-3,5-6,8-11,13,15H,4,7,12,14H2,1H3,(H,23,26)
InChIKeyPXLOICHELPKQJT-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.05
Rot. Bonds5

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

N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 18086673) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID18086673
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(NC(=O)c1ccc(CN2CCCC2=O)cc1)c1cc2ccccc2o1
InChIInChI=1S/C22H22N2O3/c1-15(20-13-18-5-2-3-6-19(18)27-20)23-22(26)17-10-8-16(9-11-17)14-24-12-4-7-21(24)25/h2-3,5-6,8-11,13,15H,4,7,12,14H2,1H3,(H,23,26)
InChIKeyPXLOICHELPKQJT-UHFFFAOYSA-N
XLogP4.05
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9482225
N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 45353703
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 31735604
N-[1-(1-benzofuran-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46508806
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51933016
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24625973
4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide
CID 60569859
N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 120568008
(2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid
CID 119362065
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94815501

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 18086673) is N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CC(NC(=O)c1ccc(CN2CCCC2=O)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is PXLOICHELPKQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15(20-13-18-5-2-3-6-19(18)27-20)23-22(26)17-10-8-16(9-11-17)14-24-12-4-7-21(24)25/h2-3,5-6,8-11,13,15H,4,7,12,14H2,1H3,(H,23,26).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 18086673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).