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

C21H24N2O4 — CID 3236773

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-26-18-10-5-15(14-19(18)27-2)11-12-22-21(25)16-6-8-17(9-7-16)23-13-3-4-20(23)24/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,25)
InChIKeyXEOBTEKWOKGJEK-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.80
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3236773) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3236773
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-26-18-10-5-15(14-19(18)27-2)11-12-22-21(25)16-6-8-17(9-7-16)23-13-3-4-20(23)24/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,25)
InChIKeyXEOBTEKWOKGJEK-UHFFFAOYSA-N
XLogP2.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Dimethylamino-3',4'-dimethoxychalcone
CID 6156423
Ecabapide
CID 65885
1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
CID 1245700
2-[2-(4-Aminophenyl)ethyl]-4,5-bispentyloxy-2,3-dihydroisoindol-1-one
CID 19363234
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
Methyl 3-(5-amino-1,3-dioxoisoindolin-2-yl)-3-(3,4-dimethoxyphenyl)propanoate
CID 461666
6,7-dimethoxy-2-(4-methylphenyl)-3H-isoindol-1-one
CID 759234
4-[3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
CID 1587127
N-(3-acetylphenyl)-3,4-dimethoxybenzamide
CID 2171051
Methylenedioxybenzoyl ethyl PABA
CID 785868
N1-(3,4-dimethoxyphenethyl)-2-(4-nitrophenyl)acetamide
CID 270357

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 3236773) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is COc1ccc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is XEOBTEKWOKGJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-18-10-5-15(14-19(18)27-2)11-12-22-21(25)16-6-8-17(9-7-16)23-13-3-4-20(23)24/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3236773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).