1-(2-anilinoethyl)-3-cyclohexylurea

C15H23N3O — CID 22978773

IUPAC1-(2-anilinoethyl)-3-cyclohexylurea
SMILESO=C(NCCNc1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H23N3O/c19-15(18-14-9-5-2-6-10-14)17-12-11-16-13-7-3-1-4-8-13/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H2,17,18,19)
InChIKeyABIXGHCZODXQRJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.73
Rot. Bonds5

About 1-(2-anilinoethyl)-3-cyclohexylurea

1-(2-anilinoethyl)-3-cyclohexylurea (PubChem CID 22978773) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-anilinoethyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(2-anilinoethyl)-3-cyclohexylurea
PubChem CID22978773
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(2-anilinoethyl)-3-cyclohexylurea
SMILESO=C(NCCNc1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H23N3O/c19-15(18-14-9-5-2-6-10-14)17-12-11-16-13-7-3-1-4-8-13/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H2,17,18,19)
InChIKeyABIXGHCZODXQRJ-UHFFFAOYSA-N
XLogP2.73
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-[2-[(R)-phenylsulfinyl]ethyl]urea
CID 95347748
1-cyclohexyl-3-[2-(2-nitroanilino)ethyl]urea
CID 47009180
N-cycloheptyl-N'-phenylethane-1,2-diamine
CID 61149751
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-phenylacetamide
CID 113057217
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417
N-cycloheptyl-3-(4-phenoxyanilino)propanamide
CID 109031516
1-[3-(cyclohexylcarbamoylamino)propyl]-1-(4-fluorophenyl)-3-phenylurea
CID 42704537
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilinoethyl)-3-cyclohexylurea?
The IUPAC name of 1-(2-anilinoethyl)-3-cyclohexylurea (CID 22978773) is 1-(2-anilinoethyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(2-anilinoethyl)-3-cyclohexylurea?
The canonical SMILES for 1-(2-anilinoethyl)-3-cyclohexylurea is O=C(NCCNc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-(2-anilinoethyl)-3-cyclohexylurea?
The InChIKey is ABIXGHCZODXQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-15(18-14-9-5-2-6-10-14)17-12-11-16-13-7-3-1-4-8-13/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H2,17,18,19).
What are the key properties of 1-(2-anilinoethyl)-3-cyclohexylurea?
1-(2-anilinoethyl)-3-cyclohexylurea has a molecular weight of 261.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilinoethyl)-3-cyclohexylurea is sourced from PubChem (CID 22978773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).