1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea

C20H21N3O2 — CID 112975099

IUPAC1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
SMILESN#Cc1ccccc1NC(=O)NCCOc1cccc2c1CCCC2
InChIInChI=1S/C20H21N3O2/c21-14-16-7-2-4-10-18(16)23-20(24)22-12-13-25-19-11-5-8-15-6-1-3-9-17(15)19/h2,4-5,7-8,10-11H,1,3,6,9,12-13H2,(H2,22,23,24)
InChIKeyGGLCBYOVZIRZGU-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.64
Rot. Bonds5

About 1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea

1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea (PubChem CID 112975099) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
PubChem CID112975099
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
SMILESN#Cc1ccccc1NC(=O)NCCOc1cccc2c1CCCC2
InChIInChI=1S/C20H21N3O2/c21-14-16-7-2-4-10-18(16)23-20(24)22-12-13-25-19-11-5-8-15-6-1-3-9-17(15)19/h2,4-5,7-8,10-11H,1,3,6,9,12-13H2,(H2,22,23,24)
InChIKeyGGLCBYOVZIRZGU-UHFFFAOYSA-N
XLogP3.64
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975091
1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975078
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112974981
1-[2-(3-chlorophenoxy)ethyl]-3-(2-cyanophenyl)urea
CID 112970884
1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975064
4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
CID 112974994
N-[2-(2-chlorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100663620
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975008
N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide
CID 113101698
5,6,7,8-tetrahydronaphthalen-1-yl N-(2-cyanoethyl)carbamate
CID 116819882
2-(3-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]acetamide
CID 113101689
1-benzyl-1-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975009

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
The IUPAC name of 1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea (CID 112975099) is 1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea.
What is the SMILES notation for 1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
The canonical SMILES for 1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea is N#Cc1ccccc1NC(=O)NCCOc1cccc2c1CCCC2.
What is the InChIKey of 1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
The InChIKey is GGLCBYOVZIRZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c21-14-16-7-2-4-10-18(16)23-20(24)22-12-13-25-19-11-5-8-15-6-1-3-9-17(15)19/h2,4-5,7-8,10-11H,1,3,6,9,12-13H2,(H2,22,23,24).
What are the key properties of 1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea has a molecular weight of 335.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea is sourced from PubChem (CID 112975099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).