N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide

C20H21N3O4 — CID 134813179

IUPACN-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1cccc(N2CC(NC(=O)CNC(=O)c3ccccc3)CC2=O)c1
InChIInChI=1S/C20H21N3O4/c1-27-17-9-5-8-16(11-17)23-13-15(10-19(23)25)22-18(24)12-21-20(26)14-6-3-2-4-7-14/h2-9,11,15H,10,12-13H2,1H3,(H,21,26)(H,22,24)
InChIKeyHRZJIVSNIVCGIS-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.35
Rot. Bonds6

About N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide

N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 134813179) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID134813179
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1cccc(N2CC(NC(=O)CNC(=O)c3ccccc3)CC2=O)c1
InChIInChI=1S/C20H21N3O4/c1-27-17-9-5-8-16(11-17)23-13-15(10-19(23)25)22-18(24)12-21-20(26)14-6-3-2-4-7-14/h2-9,11,15H,10,12-13H2,1H3,(H,21,26)(H,22,24)
InChIKeyHRZJIVSNIVCGIS-UHFFFAOYSA-N
XLogP1.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7255137
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178
3-chloro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548145
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 7563379
1-(3,3-diphenylpropyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969759
2-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548070
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-propan-2-yloxybenzamide
CID 7548095
2-(4-methoxyphenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546938

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide (CID 134813179) is N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide is COc1cccc(N2CC(NC(=O)CNC(=O)c3ccccc3)CC2=O)c1.
What is the InChIKey of N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is HRZJIVSNIVCGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-27-17-9-5-8-16(11-17)23-13-15(10-19(23)25)22-18(24)12-21-20(26)14-6-3-2-4-7-14/h2-9,11,15H,10,12-13H2,1H3,(H,21,26)(H,22,24).
What are the key properties of N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 134813179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).