1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea

C14H21N3O3 — CID 154793799

IUPAC1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea
SMILESCCOC1CC(NC(=O)Nc2cccn(CC)c2=O)C1
InChIInChI=1S/C14H21N3O3/c1-3-17-7-5-6-12(13(17)18)16-14(19)15-10-8-11(9-10)20-4-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,15,16,19)
InChIKeyTXHIOOJAZNCSCB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.56
Rot. Bonds5

About 1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea

1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea (PubChem CID 154793799) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea
PubChem CID154793799
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea
SMILESCCOC1CC(NC(=O)Nc2cccn(CC)c2=O)C1
InChIInChI=1S/C14H21N3O3/c1-3-17-7-5-6-12(13(17)18)16-14(19)15-10-8-11(9-10)20-4-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,15,16,19)
InChIKeyTXHIOOJAZNCSCB-UHFFFAOYSA-N
XLogP1.56
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea (CID 154793799) is 1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea is CCOC1CC(NC(=O)Nc2cccn(CC)c2=O)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea?
The InChIKey is TXHIOOJAZNCSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-17-7-5-6-12(13(17)18)16-14(19)15-10-8-11(9-10)20-4-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea?
1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea has a molecular weight of 279.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-3-(1-ethyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 154793799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).