1-(3-cyclohexylpropyl)-3-phenylurea

C16H24N2O — CID 19835717

IUPAC1-(3-cyclohexylpropyl)-3-phenylurea
SMILESO=C(NCCCC1CCCCC1)Nc1ccccc1
InChIInChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h2,5-6,11-12,14H,1,3-4,7-10,13H2,(H2,17,18,19)
InChIKeyJXWONUOWEAOTRE-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.17
Rot. Bonds5

About 1-(3-cyclohexylpropyl)-3-phenylurea

1-(3-cyclohexylpropyl)-3-phenylurea (PubChem CID 19835717) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-3-phenylurea
PubChem CID19835717
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(3-cyclohexylpropyl)-3-phenylurea
SMILESO=C(NCCCC1CCCCC1)Nc1ccccc1
InChIInChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h2,5-6,11-12,14H,1,3-4,7-10,13H2,(H2,17,18,19)
InChIKeyJXWONUOWEAOTRE-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106016510
1-[3-(1-aminoethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106014699
1-(4-cyclohexylbutyl)-3-(4-nitrophenyl)urea
CID 141077203
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
3-cyclohexylpropylcarbamic acid
CID 54479876
1-(2-cyclohexylethyl)-3-(2-hydroxyphenyl)urea
CID 108888519
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea
CID 60916116
1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea
CID 61341143
2-anilino-N-(3-cyclopropylpropyl)acetamide
CID 113267062
1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106005250
1-(2-cyclohexylethyl)-3-naphthalen-1-ylurea
CID 108888599

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropyl)-3-phenylurea?
The IUPAC name of 1-(3-cyclohexylpropyl)-3-phenylurea (CID 19835717) is 1-(3-cyclohexylpropyl)-3-phenylurea.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-3-phenylurea?
The canonical SMILES for 1-(3-cyclohexylpropyl)-3-phenylurea is O=C(NCCCC1CCCCC1)Nc1ccccc1.
What is the InChIKey of 1-(3-cyclohexylpropyl)-3-phenylurea?
The InChIKey is JXWONUOWEAOTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h2,5-6,11-12,14H,1,3-4,7-10,13H2,(H2,17,18,19).
What are the key properties of 1-(3-cyclohexylpropyl)-3-phenylurea?
1-(3-cyclohexylpropyl)-3-phenylurea has a molecular weight of 260.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropyl)-3-phenylurea is sourced from PubChem (CID 19835717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).