1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea

C15H23N3O — CID 55069368

IUPAC1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea
SMILESCC(NC(=O)Nc1cccc(N)c1)C1CCCCC1
InChIInChI=1S/C15H23N3O/c1-11(12-6-3-2-4-7-12)17-15(19)18-14-9-5-8-13(16)10-14/h5,8-12H,2-4,6-7,16H2,1H3,(H2,17,18,19)
InChIKeyVRJJJVWLBJDUBX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.36
Rot. Bonds3

About 1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea

1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea (PubChem CID 55069368) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea
PubChem CID55069368
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea
SMILESCC(NC(=O)Nc1cccc(N)c1)C1CCCCC1
InChIInChI=1S/C15H23N3O/c1-11(12-6-3-2-4-7-12)17-15(19)18-14-9-5-8-13(16)10-14/h5,8-12H,2-4,6-7,16H2,1H3,(H2,17,18,19)
InChIKeyVRJJJVWLBJDUBX-UHFFFAOYSA-N
XLogP3.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-methylphenyl)urea
CID 61124232
1-(3-aminophenyl)-3-(5-methylhexan-2-yl)urea
CID 63926516
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
1-[cyano(cyclohexyl)methyl]-3-(3-methylphenyl)urea
CID 60969768
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
4-amino-N-[(1R)-1-cyclohexylethyl]-2-fluorobenzamide
CID 94431767
1-[3-[[(R)-tert-butylsulfinyl]methyl]phenyl]-3-[(1R)-1-cyclopropylethyl]urea
CID 95629055
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea?
The IUPAC name of 1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea (CID 55069368) is 1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea?
The canonical SMILES for 1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea is CC(NC(=O)Nc1cccc(N)c1)C1CCCCC1.
What is the InChIKey of 1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea?
The InChIKey is VRJJJVWLBJDUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(12-6-3-2-4-7-12)17-15(19)18-14-9-5-8-13(16)10-14/h5,8-12H,2-4,6-7,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea?
1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea has a molecular weight of 261.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea is sourced from PubChem (CID 55069368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).