1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea

C14H19N3O — CID 108911622

IUPAC1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea
SMILESNc1ccc(NC(=O)N/C=C/C2CCCC2)cc1
InChIInChI=1S/C14H19N3O/c15-12-5-7-13(8-6-12)17-14(18)16-10-9-11-3-1-2-4-11/h5-11H,1-4,15H2,(H2,16,17,18)/b10-9+
InChIKeyCXGDDHSEJYZVFM-MDZDMXLPSA-N
MW245.33 g/mol
LogP3.09
Rot. Bonds3

About 1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea

1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea (PubChem CID 108911622) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea
PubChem CID108911622
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea
SMILESNc1ccc(NC(=O)N/C=C/C2CCCC2)cc1
InChIInChI=1S/C14H19N3O/c15-12-5-7-13(8-6-12)17-14(18)16-10-9-11-3-1-2-4-11/h5-11H,1-4,15H2,(H2,16,17,18)/b10-9+
InChIKeyCXGDDHSEJYZVFM-MDZDMXLPSA-N
XLogP3.09
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide
CID 108911862
1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea
CID 108911993
4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzenesulfonic acid
CID 108911625
1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
CID 108912023
[4-[[(E)-2-cyclohexylethenyl]carbamoylamino]phenyl] thiocyanate
CID 108912202
1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea
CID 108912245
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912236
1-[(E)-2-cyclopropylethenyl]-3-(4-nitrophenyl)urea
CID 108915764
ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate
CID 108915686
1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea
CID 108915680
1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea
CID 108913432
1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea
CID 108912229

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea (CID 108911622) is 1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea is Nc1ccc(NC(=O)N/C=C/C2CCCC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea?
The InChIKey is CXGDDHSEJYZVFM-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H19N3O/c15-12-5-7-13(8-6-12)17-14(18)16-10-9-11-3-1-2-4-11/h5-11H,1-4,15H2,(H2,16,17,18)/b10-9+.
What are the key properties of 1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea?
1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea has a molecular weight of 245.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea is sourced from PubChem (CID 108911622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).