1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea

C15H24N2OS — CID 115596881

IUPAC1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea
SMILESCCOCCCNC(=S)NC(CC)c1ccccc1
InChIInChI=1S/C15H24N2OS/c1-3-14(13-9-6-5-7-10-13)17-15(19)16-11-8-12-18-4-2/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H2,16,17,19)
InChIKeyYHRYSNIVAKJVSI-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.03
Rot. Bonds8

About 1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea

1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea (PubChem CID 115596881) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea
PubChem CID115596881
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea
SMILESCCOCCCNC(=S)NC(CC)c1ccccc1
InChIInChI=1S/C15H24N2OS/c1-3-14(13-9-6-5-7-10-13)17-15(19)16-11-8-12-18-4-2/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H2,16,17,19)
InChIKeyYHRYSNIVAKJVSI-UHFFFAOYSA-N
XLogP3.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-2-(1-phenylpropyl)hydrazine
CID 142399996
1-[1-(2-chlorophenyl)ethyl]-3-(3-ethoxypropyl)thiourea
CID 115570564
1-benzyl-3-(1-phenylpropyl)thiourea
CID 19675340
1-[2-(4-chlorophenyl)ethyl]-3-(1-phenylpropyl)thiourea
CID 5000601
(2S)-2-(3-ethoxypropylcarbamoylamino)-2-phenylacetic acid
CID 103994194
1-(3-ethoxypropyl)-3-pentan-2-ylthiourea
CID 115570086
1-[(2-chlorophenyl)methyl]-3-(3-ethoxypropyl)thiourea
CID 113218362
N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine
CID 10381752
1-(3-ethoxypropyl)-3-[(5-methylthiophen-2-yl)methyl]thiourea
CID 113224031
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
1-cyclohexyl-3-(1-phenylpropyl)thiourea
CID 17281987
1-(3-ethoxypropyl)-3-(1-methylsulfinylpropan-2-yl)thiourea
CID 116510199

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea (CID 115596881) is 1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea is CCOCCCNC(=S)NC(CC)c1ccccc1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea?
The InChIKey is YHRYSNIVAKJVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-14(13-9-6-5-7-10-13)17-15(19)16-11-8-12-18-4-2/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea?
1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea has a molecular weight of 280.44 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea is sourced from PubChem (CID 115596881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).