1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C21H20N2O — CID 2794033

IUPAC1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2ccccc12)NC1CCCc2ccccc21
InChIInChI=1S/C21H20N2O/c24-21(22-19-13-5-9-15-7-1-3-11-17(15)19)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-5,7-9,11-13,20H,6,10,14H2,(H2,22,23,24)
InChIKeyQQYDMFHLKYPJGF-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.04
Rot. Bonds2

About 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 2794033) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID2794033
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2ccccc12)NC1CCCc2ccccc21
InChIInChI=1S/C21H20N2O/c24-21(22-19-13-5-9-15-7-1-3-11-17(15)19)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-5,7-9,11-13,20H,6,10,14H2,(H2,22,23,24)
InChIKeyQQYDMFHLKYPJGF-UHFFFAOYSA-N
XLogP5.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 2794033) is 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is O=C(Nc1cccc2ccccc12)NC1CCCc2ccccc21.
What is the InChIKey of 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is QQYDMFHLKYPJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21(22-19-13-5-9-15-7-1-3-11-17(15)19)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-5,7-9,11-13,20H,6,10,14H2,(H2,22,23,24).
What are the key properties of 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 316.40 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 2794033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).