1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea

C18H29N3O2 — CID 3070385

IUPAC1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea
SMILESCC(C)COCC(CNC(=O)Nc1ccccc1)N1CCCC1
InChIInChI=1S/C18H29N3O2/c1-15(2)13-23-14-17(21-10-6-7-11-21)12-19-18(22)20-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3,(H2,19,20,22)
InChIKeyFJPPTPWPFGTZNA-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.95
Rot. Bonds8

About 1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea

1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea (PubChem CID 3070385) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea
PubChem CID3070385
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea
SMILESCC(C)COCC(CNC(=O)Nc1ccccc1)N1CCCC1
InChIInChI=1S/C18H29N3O2/c1-15(2)13-23-14-17(21-10-6-7-11-21)12-19-18(22)20-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3,(H2,19,20,22)
InChIKeyFJPPTPWPFGTZNA-UHFFFAOYSA-N
XLogP2.95
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea?
The IUPAC name of 1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea (CID 3070385) is 1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea?
The canonical SMILES for 1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea is CC(C)COCC(CNC(=O)Nc1ccccc1)N1CCCC1.
What is the InChIKey of 1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea?
The InChIKey is FJPPTPWPFGTZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15(2)13-23-14-17(21-10-6-7-11-21)12-19-18(22)20-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea?
1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea has a molecular weight of 319.45 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea is sourced from PubChem (CID 3070385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).