1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea

C17H26N2O2S — CID 92541834

IUPAC1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NCCCOC2CCCCC2)c1
InChIInChI=1S/C17H26N2O2S/c1-20-16-10-5-7-14(13-16)19-17(22)18-11-6-12-21-15-8-3-2-4-9-15/h5,7,10,13,15H,2-4,6,8-9,11-12H2,1H3,(H2,18,19,22)
InChIKeyYFBJTIKZCJNSJA-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.72
Rot. Bonds7

About 1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea

1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea (PubChem CID 92541834) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea
PubChem CID92541834
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NCCCOC2CCCCC2)c1
InChIInChI=1S/C17H26N2O2S/c1-20-16-10-5-7-14(13-16)19-17(22)18-11-6-12-21-15-8-3-2-4-9-15/h5,7,10,13,15H,2-4,6,8-9,11-12H2,1H3,(H2,18,19,22)
InChIKeyYFBJTIKZCJNSJA-UHFFFAOYSA-N
XLogP3.72
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-3-(3-cyclohexyloxypropyl)thiourea
CID 92541837
methyl 3-(3-cyclopentyloxypropylcarbamothioylamino)benzoate
CID 100700651
1-(3-cyclohexyloxypropyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 92541839
1-(3-methoxyphenyl)-3-nonylthiourea
CID 19651092
1-(3-cyclopentyloxypropyl)-3-(6-methoxy-3-pyridinyl)thiourea
CID 100701010
1-(3-methoxyphenyl)-3-pentylthiourea
CID 8619704
2-(5-cyclohexyloxypentyl)-1-(3-methoxyphenyl)guanidine
CID 111808524
1-(4-bromo-3-chlorophenyl)-3-(3-cyclohexyloxypropyl)thiourea
CID 100699692
1-(3-methoxyphenyl)-3-[3-[(3R)-3-methylpiperidin-1-yl]propyl]thiourea
CID 100738954
1-(3-cyclohexyloxypropyl)-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100699676
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 2140693
3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43102546

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea (CID 92541834) is 1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea is COc1cccc(NC(=S)NCCCOC2CCCCC2)c1.
What is the InChIKey of 1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea?
The InChIKey is YFBJTIKZCJNSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-20-16-10-5-7-14(13-16)19-17(22)18-11-6-12-21-15-8-3-2-4-9-15/h5,7,10,13,15H,2-4,6,8-9,11-12H2,1H3,(H2,18,19,22).
What are the key properties of 1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea?
1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea has a molecular weight of 322.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxypropyl)-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 92541834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).