1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea

C19H27N3O2 — CID 166237783

IUPAC1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea
SMILESO=C(NCCC1=CCNCC1)NC(c1ccccc1)C1CCOC1
InChIInChI=1S/C19H27N3O2/c23-19(21-12-8-15-6-10-20-11-7-15)22-18(17-9-13-24-14-17)16-4-2-1-3-5-16/h1-6,17-18,20H,7-14H2,(H2,21,22,23)
InChIKeyKJLGQFQKDRGHQZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.37
Rot. Bonds6

About 1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea

1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea (PubChem CID 166237783) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea
PubChem CID166237783
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea
SMILESO=C(NCCC1=CCNCC1)NC(c1ccccc1)C1CCOC1
InChIInChI=1S/C19H27N3O2/c23-19(21-12-8-15-6-10-20-11-7-15)22-18(17-9-13-24-14-17)16-4-2-1-3-5-16/h1-6,17-18,20H,7-14H2,(H2,21,22,23)
InChIKeyKJLGQFQKDRGHQZ-UHFFFAOYSA-N
XLogP2.37
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea?
The IUPAC name of 1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea (CID 166237783) is 1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea.
What is the SMILES notation for 1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea?
The canonical SMILES for 1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea is O=C(NCCC1=CCNCC1)NC(c1ccccc1)C1CCOC1.
What is the InChIKey of 1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea?
The InChIKey is KJLGQFQKDRGHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-19(21-12-8-15-6-10-20-11-7-15)22-18(17-9-13-24-14-17)16-4-2-1-3-5-16/h1-6,17-18,20H,7-14H2,(H2,21,22,23).
What are the key properties of 1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea?
1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea has a molecular weight of 329.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[oxolan-3-yl(phenyl)methyl]-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]urea is sourced from PubChem (CID 166237783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).