1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea

C15H24N2O2S — CID 3238975

IUPAC1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea
SMILESCCCCSCCCNC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H24N2O2S/c1-3-4-10-20-11-6-9-16-15(18)17-13-7-5-8-14(12-13)19-2/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyVZPJFWLUGBLHEH-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.74
Rot. Bonds9

About 1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea

1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea (PubChem CID 3238975) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea
PubChem CID3238975
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea
SMILESCCCCSCCCNC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H24N2O2S/c1-3-4-10-20-11-6-9-16-15(18)17-13-7-5-8-14(12-13)19-2/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyVZPJFWLUGBLHEH-UHFFFAOYSA-N
XLogP3.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 312440
Ucm 793
CID 24750192
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CID 26183
Meta-formanisidide
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N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-methoxyphenyl)urea
CID 3152350
3-(3-Methoxyphenyl)-1,1-dimethylurea
CID 34178
1-(M-Anisyl)-3-benzylurea
CID 2822865
(R)-2-[3-(3,5-Dimethoxy-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester
CID 1958042
(S)-2-[3-(3,4-Dimethoxy-phenyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester
CID 2016178
N-(3-methoxyphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 6467692

Frequently Asked Questions

What is the IUPAC name of 1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea (CID 3238975) is 1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea is CCCCSCCCNC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea?
The InChIKey is VZPJFWLUGBLHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-4-10-20-11-6-9-16-15(18)17-13-7-5-8-14(12-13)19-2/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea?
1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea has a molecular weight of 296.44 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butylsulfanylpropyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 3238975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).