4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide

C20H22N2O3 — CID 3239846

IUPAC4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide
SMILESCCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-2-25-18-12-10-16(11-13-18)20(24)22(17-7-4-3-5-8-17)15-21-14-6-9-19(21)23/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3
InChIKeyPFZVAZXVMJMVHR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.31
Rot. Bonds6

About 4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide

4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide (PubChem CID 3239846) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide
PubChem CID3239846
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide
SMILESCCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-2-25-18-12-10-16(11-13-18)20(24)22(17-7-4-3-5-8-17)15-21-14-6-9-19(21)23/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3
InChIKeyPFZVAZXVMJMVHR-UHFFFAOYSA-N
XLogP3.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide?
The IUPAC name of 4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide (CID 3239846) is 4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide?
The canonical SMILES for 4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide is CCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1.
What is the InChIKey of 4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide?
The InChIKey is PFZVAZXVMJMVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-25-18-12-10-16(11-13-18)20(24)22(17-7-4-3-5-8-17)15-21-14-6-9-19(21)23/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3.
What are the key properties of 4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide?
4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide has a molecular weight of 338.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 3239846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).