1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea

C18H22N2O3 — CID 113216514

IUPAC1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-18(2,13-8-10-15(22-3)11-9-13)20-17(21)19-14-6-5-7-16(12-14)23-4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyXJPUEXLXLFKJLS-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.76
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea

1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea (PubChem CID 113216514) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
PubChem CID113216514
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-18(2,13-8-10-15(22-3)11-9-13)20-17(21)19-14-6-5-7-16(12-14)23-4/h5-12H,1-4H3,(H2,19,20,21)
InChIKeyXJPUEXLXLFKJLS-UHFFFAOYSA-N
XLogP3.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216506
1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216496
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 133204286
N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216357
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea
CID 113216857
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-2-methylpropanamide
CID 113197444
1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea
CID 60733422

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea (CID 113216514) is 1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea is COc1ccc(C(C)(C)NC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The InChIKey is XJPUEXLXLFKJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(2,13-8-10-15(22-3)11-9-13)20-17(21)19-14-6-5-7-16(12-14)23-4/h5-12H,1-4H3,(H2,19,20,21).
What are the key properties of 1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 113216514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).