1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea

C21H28N2O5 — CID 113213805

IUPAC1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
SMILESCOc1ccc(NC(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H28N2O5/c1-21(2,14-7-9-16(25-3)18(11-14)27-5)13-22-20(24)23-15-8-10-17(26-4)19(12-15)28-6/h7-12H,13H2,1-6H3,(H2,22,23,24)
InChIKeyJJRIUDUAKZRVHS-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.82
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea

1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea (PubChem CID 113213805) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
PubChem CID113213805
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
SMILESCOc1ccc(NC(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H28N2O5/c1-21(2,14-7-9-16(25-3)18(11-14)27-5)13-22-20(24)23-15-8-10-17(26-4)19(12-15)28-6/h7-12H,13H2,1-6H3,(H2,22,23,24)
InChIKeyJJRIUDUAKZRVHS-UHFFFAOYSA-N
XLogP3.82
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213810
methyl 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]carbamoylamino]benzoate
CID 113213815
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
CID 113213798
1-(2-cyanophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213830
1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea
CID 110774460
1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea
CID 17277594
1-(3,4-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]guanidine
CID 111805160
1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119320138
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 110441966
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591873
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea (CID 113213805) is 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea is COc1ccc(NC(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea?
The InChIKey is JJRIUDUAKZRVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-21(2,14-7-9-16(25-3)18(11-14)27-5)13-22-20(24)23-15-8-10-17(26-4)19(12-15)28-6/h7-12H,13H2,1-6H3,(H2,22,23,24).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea?
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea has a molecular weight of 388.46 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea is sourced from PubChem (CID 113213805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).