1-(4-aminophenyl)-3-(4-phenylbutyl)urea

C17H21N3O — CID 108897090

IUPAC1-(4-aminophenyl)-3-(4-phenylbutyl)urea
SMILESNc1ccc(NC(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C17H21N3O/c18-15-9-11-16(12-10-15)20-17(21)19-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13,18H2,(H2,19,20,21)
InChIKeyNWFWFOBWISUBDP-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.41
Rot. Bonds6

About 1-(4-aminophenyl)-3-(4-phenylbutyl)urea

1-(4-aminophenyl)-3-(4-phenylbutyl)urea (PubChem CID 108897090) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(4-phenylbutyl)urea
PubChem CID108897090
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(4-aminophenyl)-3-(4-phenylbutyl)urea
SMILESNc1ccc(NC(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C17H21N3O/c18-15-9-11-16(12-10-15)20-17(21)19-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13,18H2,(H2,19,20,21)
InChIKeyNWFWFOBWISUBDP-UHFFFAOYSA-N
XLogP3.41
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
1-(4-aminophenyl)-3-butylurea
CID 28785616
1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea
CID 108871644
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
1-(4-aminophenyl)-3-[2-(4-bromophenyl)ethyl]urea
CID 108897083
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-phenylbutyl)urea
CID 108885753
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
1-(4-aminophenyl)-3-[2-(3-bromophenyl)ethyl]urea
CID 108897082
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756
1-(4-aminophenyl)-3-(2-chloroethyl)urea
CID 108896976
1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea
CID 83121373

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(4-phenylbutyl)urea?
The IUPAC name of 1-(4-aminophenyl)-3-(4-phenylbutyl)urea (CID 108897090) is 1-(4-aminophenyl)-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-(4-aminophenyl)-3-(4-phenylbutyl)urea is Nc1ccc(NC(=O)NCCCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(4-phenylbutyl)urea?
The InChIKey is NWFWFOBWISUBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-15-9-11-16(12-10-15)20-17(21)19-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13,18H2,(H2,19,20,21).
What are the key properties of 1-(4-aminophenyl)-3-(4-phenylbutyl)urea?
1-(4-aminophenyl)-3-(4-phenylbutyl)urea has a molecular weight of 283.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(4-phenylbutyl)urea is sourced from PubChem (CID 108897090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).