3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea

C24H34N2O2S — CID 8628408

IUPAC3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea
SMILESCCCOc1ccc(CN(CCC)C(=S)Nc2cccc(C)c2C)cc1OCC
InChIInChI=1S/C24H34N2O2S/c1-6-14-26(24(29)25-21-11-9-10-18(4)19(21)5)17-20-12-13-22(28-15-7-2)23(16-20)27-8-3/h9-13,16H,6-8,14-15,17H2,1-5H3,(H,25,29)
InChIKeyIKBHKDPKOFGMFB-UHFFFAOYSA-N
MW414.62 g/mol
LogP6.10
Rot. Bonds10

About 3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea

3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea (PubChem CID 8628408) has the molecular formula C24H34N2O2S and a molecular weight of 414.62 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea
PubChem CID8628408
Molecular FormulaC24H34N2O2S
Molecular Weight414.62 g/mol
Exact Mass414.23
IUPAC Name3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea
SMILESCCCOc1ccc(CN(CCC)C(=S)Nc2cccc(C)c2C)cc1OCC
InChIInChI=1S/C24H34N2O2S/c1-6-14-26(24(29)25-21-11-9-10-18(4)19(21)5)17-20-12-13-22(28-15-7-2)23(16-20)27-8-3/h9-13,16H,6-8,14-15,17H2,1-5H3,(H,25,29)
InChIKeyIKBHKDPKOFGMFB-UHFFFAOYSA-N
XLogP6.10
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea 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

3-(2,3-dimethylphenyl)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylthiourea
CID 8680216
1-[(3,4-diethoxyphenyl)methyl]-3-(4-methylphenyl)-1-propylthiourea
CID 8684422
3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-1-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]thiourea
CID 4290343
N-(2,3-dimethylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151887
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide
CID 55686789
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide
CID 55876114
1-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)thiourea
CID 19344200
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
N-(2,3-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2599686
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55502855
3-(3-chloro-2-methylphenyl)-1,1-dipropylthiourea
CID 17379704

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea?
The IUPAC name of 3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea (CID 8628408) is 3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea?
The canonical SMILES for 3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea is CCCOc1ccc(CN(CCC)C(=S)Nc2cccc(C)c2C)cc1OCC.
What is the InChIKey of 3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea?
The InChIKey is IKBHKDPKOFGMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2S/c1-6-14-26(24(29)25-21-11-9-10-18(4)19(21)5)17-20-12-13-22(28-15-7-2)23(16-20)27-8-3/h9-13,16H,6-8,14-15,17H2,1-5H3,(H,25,29).
What are the key properties of 3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea?
3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea has a molecular weight of 414.62 g/mol, XLogP of 6.10, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1-propylthiourea is sourced from PubChem (CID 8628408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).