1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea

C21H20N2O4 — CID 139434076

IUPAC1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Oc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C21H20N2O4/c1-25-18-10-6-7-15(13-18)22-21(24)23-16-11-12-19(20(14-16)26-2)27-17-8-4-3-5-9-17/h3-14H,1-2H3,(H2,22,23,24)
InChIKeyJNLFTOKLEWJRPJ-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.14
Rot. Bonds6

About 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea

1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea (PubChem CID 139434076) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea
PubChem CID139434076
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Oc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C21H20N2O4/c1-25-18-10-6-7-15(13-18)22-21(24)23-16-11-12-19(20(14-16)26-2)27-17-8-4-3-5-9-17/h3-14H,1-2H3,(H2,22,23,24)
InChIKeyJNLFTOKLEWJRPJ-UHFFFAOYSA-N
XLogP5.14
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
N-(3-methoxyphenyl)-N'-(2-phenoxyphenyl)oxamide
CID 108987248
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
CID 30296852
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 121082502
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea (CID 139434076) is 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(Oc3ccccc3)c(OC)c2)c1.
What is the InChIKey of 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea?
The InChIKey is JNLFTOKLEWJRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-25-18-10-6-7-15(13-18)22-21(24)23-16-11-12-19(20(14-16)26-2)27-17-8-4-3-5-9-17/h3-14H,1-2H3,(H2,22,23,24).
What are the key properties of 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea?
1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea has a molecular weight of 364.40 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 139434076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).