N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C23H28N2O4 — CID 7446646

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCOc1ccc(CCNC(=O)c2cccc(N3CCCC3=O)c2)cc1OCC
InChIInChI=1S/C23H28N2O4/c1-3-28-20-11-10-17(15-21(20)29-4-2)12-13-24-23(27)18-7-5-8-19(16-18)25-14-6-9-22(25)26/h5,7-8,10-11,15-16H,3-4,6,9,12-14H2,1-2H3,(H,24,27)
InChIKeyOBEIAHZWSYJJHP-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.58
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 7446646) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID7446646
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCOc1ccc(CCNC(=O)c2cccc(N3CCCC3=O)c2)cc1OCC
InChIInChI=1S/C23H28N2O4/c1-3-28-20-11-10-17(15-21(20)29-4-2)12-13-24-23(27)18-7-5-8-19(16-18)25-14-6-9-22(25)26/h5,7-8,10-11,15-16H,3-4,6,9,12-14H2,1-2H3,(H,24,27)
InChIKeyOBEIAHZWSYJJHP-UHFFFAOYSA-N
XLogP3.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

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CID 65885
2,3-Dihydro-N-methyl-N-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]-1,4-benzodioxin-6-carboxamide
CID 8001903
2-[2-(4-Aminophenyl)ethyl]-4,5-bispentyloxy-2,3-dihydroisoindol-1-one
CID 19363234
6-(4-(4-(1,3-Dihydroisobenzofuran-4-yl)piperazin-1-yl)butoxy)isoindolin-1-one
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5-(2-fluoroethoxy)-2-[4-(methylamino)phenyl]-3H-isoindol-1-one
CID 25266341
2-(4-aminophenyl)-5-(2-fluoroethoxy)-3H-isoindol-1-one
CID 25267381
2-(4-aminophenyl)-5-(3-fluoropropoxy)-3H-isoindol-1-one
CID 25267382
5-(3-fluoropropoxy)-2-[4-(methylamino)phenyl]-3H-isoindol-1-one
CID 25267383
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-methoxybenzoyl)amino]benzamide
CID 156145621
N-[4-(diethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 844944
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
3-({3-[(5Z)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoic acid
CID 1587117

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 7446646) is N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CCOc1ccc(CCNC(=O)c2cccc(N3CCCC3=O)c2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is OBEIAHZWSYJJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-28-20-11-10-17(15-21(20)29-4-2)12-13-24-23(27)18-7-5-8-19(16-18)25-14-6-9-22(25)26/h5,7-8,10-11,15-16H,3-4,6,9,12-14H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 7446646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).