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

C23H28N2O4 — CID 6619429

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1OCC
InChIInChI=1S/C23H28N2O4/c1-3-28-20-12-7-17(16-21(20)29-4-2)13-14-24-23(27)18-8-10-19(11-9-18)25-15-5-6-22(25)26/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,27)
InChIKeySBJJYAGNNGJADX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.58
Rot. Bonds9

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

N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 6619429) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID6619429
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1OCC
InChIInChI=1S/C23H28N2O4/c1-3-28-20-12-7-17(16-21(20)29-4-2)13-14-24-23(27)18-8-10-19(11-9-18)25-15-5-6-22(25)26/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,27)
InChIKeySBJJYAGNNGJADX-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 6619429) is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CCOc1ccc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is SBJJYAGNNGJADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-28-20-12-7-17(16-21(20)29-4-2)13-14-24-23(27)18-8-10-19(11-9-18)25-15-5-6-22(25)26/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(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]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 6619429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).