1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C19H23N3O2 — CID 111793383

IUPAC1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCc1ccccn1)N(CCO)C1CCCc2ccccc21
InChIInChI=1S/C19H23N3O2/c23-13-12-22(19(24)21-14-16-8-3-4-11-20-16)18-10-5-7-15-6-1-2-9-17(15)18/h1-4,6,8-9,11,18,23H,5,7,10,12-14H2,(H,21,24)
InChIKeyMFDCQBIWUSAUGQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.66
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 111793383) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID111793383
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCc1ccccn1)N(CCO)C1CCCc2ccccc21
InChIInChI=1S/C19H23N3O2/c23-13-12-22(19(24)21-14-16-8-3-4-11-20-16)18-10-5-7-15-6-1-2-9-17(15)18/h1-4,6,8-9,11,18,23H,5,7,10,12-14H2,(H,21,24)
InChIKeyMFDCQBIWUSAUGQ-UHFFFAOYSA-N
XLogP2.66
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 111793383) is 1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is O=C(NCc1ccccn1)N(CCO)C1CCCc2ccccc21.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is MFDCQBIWUSAUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-13-12-22(19(24)21-14-16-8-3-4-11-20-16)18-10-5-7-15-6-1-2-9-17(15)18/h1-4,6,8-9,11,18,23H,5,7,10,12-14H2,(H,21,24).
What are the key properties of 1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 325.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 111793383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).