1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea

C15H23N3O2 — CID 75380390

IUPAC1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea
SMILESCOCCC1(CNC(=O)NCc2ccccn2)CCC1
InChIInChI=1S/C15H23N3O2/c1-20-10-8-15(6-4-7-15)12-18-14(19)17-11-13-5-2-3-9-16-13/h2-3,5,9H,4,6-8,10-12H2,1H3,(H2,17,18,19)
InChIKeyMQVRXXWVOWFKSI-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.09
Rot. Bonds7

About 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea

1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 75380390) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID75380390
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea
SMILESCOCCC1(CNC(=O)NCc2ccccn2)CCC1
InChIInChI=1S/C15H23N3O2/c1-20-10-8-15(6-4-7-15)12-18-14(19)17-11-13-5-2-3-9-16-13/h2-3,5,9H,4,6-8,10-12H2,1H3,(H2,17,18,19)
InChIKeyMQVRXXWVOWFKSI-UHFFFAOYSA-N
XLogP2.09
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea (CID 75380390) is 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea is COCCC1(CNC(=O)NCc2ccccn2)CCC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is MQVRXXWVOWFKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-10-8-15(6-4-7-15)12-18-14(19)17-11-13-5-2-3-9-16-13/h2-3,5,9H,4,6-8,10-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea?
1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 75380390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).