1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea

C17H25N3O5 — CID 47066673

IUPAC1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(OC)c(CNC(=O)NCC(=O)N2CCCC2)c(OC)c1
InChIInChI=1S/C17H25N3O5/c1-23-12-8-14(24-2)13(15(9-12)25-3)10-18-17(22)19-11-16(21)20-6-4-5-7-20/h8-9H,4-7,10-11H2,1-3H3,(H2,18,19,22)
InChIKeyAZGQQXDSZVFDIM-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.13
Rot. Bonds7

About 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea

1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea (PubChem CID 47066673) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea
PubChem CID47066673
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(OC)c(CNC(=O)NCC(=O)N2CCCC2)c(OC)c1
InChIInChI=1S/C17H25N3O5/c1-23-12-8-14(24-2)13(15(9-12)25-3)10-18-17(22)19-11-16(21)20-6-4-5-7-20/h8-9H,4-7,10-11H2,1-3H3,(H2,18,19,22)
InChIKeyAZGQQXDSZVFDIM-UHFFFAOYSA-N
XLogP1.13
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea (CID 47066673) is 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea is COc1cc(OC)c(CNC(=O)NCC(=O)N2CCCC2)c(OC)c1.
What is the InChIKey of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
The InChIKey is AZGQQXDSZVFDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-23-12-8-14(24-2)13(15(9-12)25-3)10-18-17(22)19-11-16(21)20-6-4-5-7-20/h8-9H,4-7,10-11H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea has a molecular weight of 351.40 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea is sourced from PubChem (CID 47066673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).