1-ethyl-1-phenyl-3-(3-phenylpropyl)urea

C18H22N2O — CID 108990490

IUPAC1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
SMILESCCN(C(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-20(17-13-7-4-8-14-17)18(21)19-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,2,9,12,15H2,1H3,(H,19,21)
InChIKeyMNNFWTWKIHJETD-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.86
Rot. Bonds6

About 1-ethyl-1-phenyl-3-(3-phenylpropyl)urea

1-ethyl-1-phenyl-3-(3-phenylpropyl)urea (PubChem CID 108990490) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-ethyl-1-phenyl-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
PubChem CID108990490
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
SMILESCCN(C(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-20(17-13-7-4-8-14-17)18(21)19-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,2,9,12,15H2,1H3,(H,19,21)
InChIKeyMNNFWTWKIHJETD-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
CID 108901911
1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979188
3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901403
3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901655
1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea
CID 91387423
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948
N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160792
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-phenylurea
CID 108882781
3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174862
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-phenyl-3-(3-phenylpropyl)urea?
The IUPAC name of 1-ethyl-1-phenyl-3-(3-phenylpropyl)urea (CID 108990490) is 1-ethyl-1-phenyl-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-ethyl-1-phenyl-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-ethyl-1-phenyl-3-(3-phenylpropyl)urea is CCN(C(=O)NCCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-ethyl-1-phenyl-3-(3-phenylpropyl)urea?
The InChIKey is MNNFWTWKIHJETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-20(17-13-7-4-8-14-17)18(21)19-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,2,9,12,15H2,1H3,(H,19,21).
What are the key properties of 1-ethyl-1-phenyl-3-(3-phenylpropyl)urea?
1-ethyl-1-phenyl-3-(3-phenylpropyl)urea has a molecular weight of 282.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-phenyl-3-(3-phenylpropyl)urea is sourced from PubChem (CID 108990490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).