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

C21H24N2O3 — CID 112975078

IUPAC1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCOc2cccc3c2CCCC3)c1
InChIInChI=1S/C21H24N2O3/c1-15(24)17-8-4-9-18(14-17)23-21(25)22-12-13-26-20-11-5-7-16-6-2-3-10-19(16)20/h4-5,7-9,11,14H,2-3,6,10,12-13H2,1H3,(H2,22,23,25)
InChIKeyVACQOBWYKQTLAV-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.97
Rot. Bonds6

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

1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea (PubChem CID 112975078) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
PubChem CID112975078
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCOc2cccc3c2CCCC3)c1
InChIInChI=1S/C21H24N2O3/c1-15(24)17-8-4-9-18(14-17)23-21(25)22-12-13-26-20-11-5-7-16-6-2-3-10-19(16)20/h4-5,7-9,11,14H,2-3,6,10,12-13H2,1H3,(H2,22,23,25)
InChIKeyVACQOBWYKQTLAV-UHFFFAOYSA-N
XLogP3.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.97
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-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975064
1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970277
1-(2-cyanophenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975099
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112974981
4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
CID 112974994
2-(3-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]acetamide
CID 113101689
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975008
1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972467
methyl 3-[3-(2-methylphenoxy)propylcarbamoylamino]benzoate
CID 108884001
N-[3-[2-(2,4,5-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112974507
1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969860

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea (CID 112975078) is 1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea is CC(=O)c1cccc(NC(=O)NCCOc2cccc3c2CCCC3)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
The InChIKey is VACQOBWYKQTLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(24)17-8-4-9-18(14-17)23-21(25)22-12-13-26-20-11-5-7-16-6-2-3-10-19(16)20/h4-5,7-9,11,14H,2-3,6,10,12-13H2,1H3,(H2,22,23,25).
What are the key properties of 1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea?
1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea has a molecular weight of 352.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea is sourced from PubChem (CID 112975078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).