1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea

C14H22N2O2S — CID 7944898

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea
SMILESCCCNC(=S)N(C)Cc1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O2S/c1-5-8-15-14(19)16(2)10-11-6-7-12(17-3)9-13(11)18-4/h6-7,9H,5,8,10H2,1-4H3,(H,15,19)
InChIKeyITPHJYOTRLLRDH-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.42
Rot. Bonds6

About 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea

1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea (PubChem CID 7944898) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea
PubChem CID7944898
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea
SMILESCCCNC(=S)N(C)Cc1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O2S/c1-5-8-15-14(19)16(2)10-11-6-7-12(17-3)9-13(11)18-4/h6-7,9H,5,8,10H2,1-4H3,(H,15,19)
InChIKeyITPHJYOTRLLRDH-UHFFFAOYSA-N
XLogP2.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-(3-methylsulfanylpropyl)thiourea
CID 7944903
1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-propylthiourea
CID 9097975
1-[(4-methoxyphenyl)methyl]-1-methyl-3-propylthiourea
CID 113218431
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea
CID 5180319
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-octylthiourea
CID 3256381
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8786326
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
3-(3-butoxypropyl)-1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111296357
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea (CID 7944898) is 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea is CCCNC(=S)N(C)Cc1ccc(OC)cc1OC.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea?
The InChIKey is ITPHJYOTRLLRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-5-8-15-14(19)16(2)10-11-6-7-12(17-3)9-13(11)18-4/h6-7,9H,5,8,10H2,1-4H3,(H,15,19).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea?
1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea has a molecular weight of 282.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propylthiourea is sourced from PubChem (CID 7944898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).