1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea

C17H26N4O2 — CID 60607645

IUPAC1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea
SMILESCN(C)c1cccc(CNC(=O)NCCC(=O)N2CCCC2)c1
InChIInChI=1S/C17H26N4O2/c1-20(2)15-7-5-6-14(12-15)13-19-17(23)18-9-8-16(22)21-10-3-4-11-21/h5-7,12H,3-4,8-11,13H2,1-2H3,(H2,18,19,23)
InChIKeyDAGQLOZJEJVHHR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.56
Rot. Bonds6

About 1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea

1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea (PubChem CID 60607645) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea
PubChem CID60607645
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea
SMILESCN(C)c1cccc(CNC(=O)NCCC(=O)N2CCCC2)c1
InChIInChI=1S/C17H26N4O2/c1-20(2)15-7-5-6-14(12-15)13-19-17(23)18-9-8-16(22)21-10-3-4-11-21/h5-7,12H,3-4,8-11,13H2,1-2H3,(H2,18,19,23)
InChIKeyDAGQLOZJEJVHHR-UHFFFAOYSA-N
XLogP1.56
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea?
The IUPAC name of 1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea (CID 60607645) is 1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea?
The canonical SMILES for 1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea is CN(C)c1cccc(CNC(=O)NCCC(=O)N2CCCC2)c1.
What is the InChIKey of 1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea?
The InChIKey is DAGQLOZJEJVHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20(2)15-7-5-6-14(12-15)13-19-17(23)18-9-8-16(22)21-10-3-4-11-21/h5-7,12H,3-4,8-11,13H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea?
1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea has a molecular weight of 318.42 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea is sourced from PubChem (CID 60607645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).