1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea

C21H28N2O5 — CID 55819420

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea
SMILESCOCCOCc1cccc(NC(=O)N(C)Cc2ccc(OC)cc2OC)c1
InChIInChI=1S/C21H28N2O5/c1-23(14-17-8-9-19(26-3)13-20(17)27-4)21(24)22-18-7-5-6-16(12-18)15-28-11-10-25-2/h5-9,12-13H,10-11,14-15H2,1-4H3,(H,22,24)
InChIKeyWULBZQINNBOQIC-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.53
Rot. Bonds10

About 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea

1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea (PubChem CID 55819420) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea
PubChem CID55819420
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea
SMILESCOCCOCc1cccc(NC(=O)N(C)Cc2ccc(OC)cc2OC)c1
InChIInChI=1S/C21H28N2O5/c1-23(14-17-8-9-19(26-3)13-20(17)27-4)21(24)22-18-7-5-6-16(12-18)15-28-11-10-25-2/h5-9,12-13H,10-11,14-15H2,1-4H3,(H,22,24)
InChIKeyWULBZQINNBOQIC-UHFFFAOYSA-N
XLogP3.53
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide
CID 75416455
N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616521
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 87044605
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
1,1-diethyl-3-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]urea
CID 56820488
1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
CID 86988690
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 55698533
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 111296288
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
4-[[[(2,4-dimethoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 122019707

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea (CID 55819420) is 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea is COCCOCc1cccc(NC(=O)N(C)Cc2ccc(OC)cc2OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea?
The InChIKey is WULBZQINNBOQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-23(14-17-8-9-19(26-3)13-20(17)27-4)21(24)22-18-7-5-6-16(12-18)15-28-11-10-25-2/h5-9,12-13H,10-11,14-15H2,1-4H3,(H,22,24).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea?
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea has a molecular weight of 388.46 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea is sourced from PubChem (CID 55819420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).