N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C22H22N2O4 — CID 55588399

IUPACN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cccc2cc(C(C)NC(=O)c3cccc(N4CCCC4=O)c3)oc12
InChIInChI=1S/C22H22N2O4/c1-14(19-13-15-6-4-9-18(27-2)21(15)28-19)23-22(26)16-7-3-8-17(12-16)24-11-5-10-20(24)25/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,23,26)
InChIKeyZDSJCNIXSGBECM-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.06
Rot. Bonds5

About N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 55588399) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID55588399
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cccc2cc(C(C)NC(=O)c3cccc(N4CCCC4=O)c3)oc12
InChIInChI=1S/C22H22N2O4/c1-14(19-13-15-6-4-9-18(27-2)21(15)28-19)23-22(26)16-7-3-8-17(12-16)24-11-5-10-20(24)25/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,23,26)
InChIKeyZDSJCNIXSGBECM-UHFFFAOYSA-N
XLogP4.06
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide
CID 26458989
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914
3-(cyclopentylsulfamoyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]benzamide
CID 55588486
N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651775
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51577737
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
6-chloro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 55589069
dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate
CID 95742879

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 55588399) is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is COc1cccc2cc(C(C)NC(=O)c3cccc(N4CCCC4=O)c3)oc12.
What is the InChIKey of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ZDSJCNIXSGBECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14(19-13-15-6-4-9-18(27-2)21(15)28-19)23-22(26)16-7-3-8-17(12-16)24-11-5-10-20(24)25/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 378.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55588399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).