3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide

C23H28N2O4 — CID 16918987

IUPAC3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2CC(=O)N(c3ccc(C)cc3)C2)cc1OCC
InChIInChI=1S/C23H28N2O4/c1-4-28-20-11-8-18(13-21(20)29-5-2)23(27)24-14-17-12-22(26)25(15-17)19-9-6-16(3)7-10-19/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,24,27)
InChIKeyAWQHFJHJSQCKQR-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.58
Rot. Bonds8

About 3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide

3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 16918987) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
PubChem CID16918987
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2CC(=O)N(c3ccc(C)cc3)C2)cc1OCC
InChIInChI=1S/C23H28N2O4/c1-4-28-20-11-8-18(13-21(20)29-5-2)23(27)24-14-17-12-22(26)25(15-17)19-9-6-16(3)7-10-19/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,24,27)
InChIKeyAWQHFJHJSQCKQR-UHFFFAOYSA-N
XLogP3.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 40876664
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
3,5-dimethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918985
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 16919018
methyl N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 16919084
2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40896977
1-(4-ethoxyphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920193
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919044
1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920233
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16919059

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide (CID 16918987) is 3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide is CCOc1ccc(C(=O)NCC2CC(=O)N(c3ccc(C)cc3)C2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The InChIKey is AWQHFJHJSQCKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-4-28-20-11-8-18(13-21(20)29-5-2)23(27)24-14-17-12-22(26)25(15-17)19-9-6-16(3)7-10-19/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,24,27).
What are the key properties of 3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 16918987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).