1-(2,4-dimethoxyphenyl)-3-undecylthiourea

C20H34N2O2S — CID 19651293

IUPAC1-(2,4-dimethoxyphenyl)-3-undecylthiourea
SMILESCCCCCCCCCCCNC(=S)Nc1ccc(OC)cc1OC
InChIInChI=1S/C20H34N2O2S/c1-4-5-6-7-8-9-10-11-12-15-21-20(25)22-18-14-13-17(23-2)16-19(18)24-3/h13-14,16H,4-12,15H2,1-3H3,(H2,21,22,25)
InChIKeyKBSAYTGIHSVWFK-UHFFFAOYSA-N
MW366.57 g/mol
LogP5.52
Rot. Bonds13

About 1-(2,4-dimethoxyphenyl)-3-undecylthiourea

1-(2,4-dimethoxyphenyl)-3-undecylthiourea (PubChem CID 19651293) has the molecular formula C20H34N2O2S and a molecular weight of 366.57 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-undecylthiourea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-undecylthiourea
PubChem CID19651293
Molecular FormulaC20H34N2O2S
Molecular Weight366.57 g/mol
Exact Mass366.23
IUPAC Name1-(2,4-dimethoxyphenyl)-3-undecylthiourea
SMILESCCCCCCCCCCCNC(=S)Nc1ccc(OC)cc1OC
InChIInChI=1S/C20H34N2O2S/c1-4-5-6-7-8-9-10-11-12-15-21-20(25)22-18-14-13-17(23-2)16-19(18)24-3/h13-14,16H,4-12,15H2,1-3H3,(H2,21,22,25)
InChIKeyKBSAYTGIHSVWFK-UHFFFAOYSA-N
XLogP5.52
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.57
LogP ≤ 55.52
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-(2,4-dimethoxyphenyl)-3-undecylthiourea 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-(2,4-dimethoxyphenyl)-3-octylthiourea
CID 4299563
1-dodecyl-3-(4-methoxyphenyl)thiourea
CID 19651361
2,4-dimethoxy-N-pentylaniline
CID 28570496
1-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)thiourea
CID 100616341
1-(2,4-dimethoxyphenyl)-3-[3-(2-ethoxyphenyl)propyl]thiourea
CID 100614857
1-(3-methoxyphenyl)-3-nonylthiourea
CID 19651092
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
1-(3-methoxyphenyl)-3-pentylthiourea
CID 8619704
1-(3,4-dimethoxyphenyl)-3-octylthiourea
CID 19651030
1-(2,4-dimethoxyphenyl)-3-[3-(3-methylpyrazol-1-yl)propyl]thiourea
CID 19334388
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 800539

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-undecylthiourea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-undecylthiourea (CID 19651293) is 1-(2,4-dimethoxyphenyl)-3-undecylthiourea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-undecylthiourea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-undecylthiourea is CCCCCCCCCCCNC(=S)Nc1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-undecylthiourea?
The InChIKey is KBSAYTGIHSVWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2S/c1-4-5-6-7-8-9-10-11-12-15-21-20(25)22-18-14-13-17(23-2)16-19(18)24-3/h13-14,16H,4-12,15H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-undecylthiourea?
1-(2,4-dimethoxyphenyl)-3-undecylthiourea has a molecular weight of 366.57 g/mol, XLogP of 5.52, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-undecylthiourea is sourced from PubChem (CID 19651293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).