1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea

C18H27N3O3 — CID 75434318

IUPAC1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCn1cccc(NC(=O)NC2CCCCC2OC2CCCC2)c1=O
InChIInChI=1S/C18H27N3O3/c1-21-12-6-10-15(17(21)22)20-18(23)19-14-9-4-5-11-16(14)24-13-7-2-3-8-13/h6,10,12-14,16H,2-5,7-9,11H2,1H3,(H2,19,20,23)
InChIKeyLBDHIWALSODYPC-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.78
Rot. Bonds4

About 1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea

1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea (PubChem CID 75434318) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
PubChem CID75434318
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCn1cccc(NC(=O)NC2CCCCC2OC2CCCC2)c1=O
InChIInChI=1S/C18H27N3O3/c1-21-12-6-10-15(17(21)22)20-18(23)19-14-9-4-5-11-16(14)24-13-7-2-3-8-13/h6,10,12-14,16H,2-5,7-9,11H2,1H3,(H2,19,20,23)
InChIKeyLBDHIWALSODYPC-UHFFFAOYSA-N
XLogP2.78
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea (CID 75434318) is 1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea is Cn1cccc(NC(=O)NC2CCCCC2OC2CCCC2)c1=O.
What is the InChIKey of 1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The InChIKey is LBDHIWALSODYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-21-12-6-10-15(17(21)22)20-18(23)19-14-9-4-5-11-16(14)24-13-7-2-3-8-13/h6,10,12-14,16H,2-5,7-9,11H2,1H3,(H2,19,20,23).
What are the key properties of 1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea has a molecular weight of 333.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 75434318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).