1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea

C35H32N2O5 — CID 141136649

IUPAC1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea
SMILESCOc1cc(COc2ccccc2-c2cccc(N(C)C(=O)Nc3cccc(Oc4ccccc4)c3)c2)cc(OC)c1
InChIInChI=1S/C35H32N2O5/c1-37(35(38)36-27-12-10-16-30(22-27)42-29-14-5-4-6-15-29)28-13-9-11-26(21-28)33-17-7-8-18-34(33)41-24-25-19-31(39-2)23-32(20-25)40-3/h4-23H,24H2,1-3H3,(H,36,38)
InChIKeyRAIQYGYANMBESU-UHFFFAOYSA-N
MW560.65 g/mol
LogP8.41
Rot. Bonds10

About 1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea

1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea (PubChem CID 141136649) has the molecular formula C35H32N2O5 and a molecular weight of 560.65 g/mol. Its IUPAC name is 1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea
PubChem CID141136649
Molecular FormulaC35H32N2O5
Molecular Weight560.65 g/mol
Exact Mass560.23
IUPAC Name1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea
SMILESCOc1cc(COc2ccccc2-c2cccc(N(C)C(=O)Nc3cccc(Oc4ccccc4)c3)c2)cc(OC)c1
InChIInChI=1S/C35H32N2O5/c1-37(35(38)36-27-12-10-16-30(22-27)42-29-14-5-4-6-15-29)28-13-9-11-26(21-28)33-17-7-8-18-34(33)41-24-25-19-31(39-2)23-32(20-25)40-3/h4-23H,24H2,1-3H3,(H,36,38)
InChIKeyRAIQYGYANMBESU-UHFFFAOYSA-N
XLogP8.41
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-butoxy-4-[3-[methyl(phenylcarbamoyl)amino]phenyl]phenyl]propanoate
CID 67272128
1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
CID 13424071
1,2-dimethyl-1,3-bis(3-phenylmethoxyphenyl)guanidine
CID 67780070
2-[[4-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 175248368
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
(3-acetamidophenyl) 2-(2-phenylphenoxy)acetate
CID 7937359
N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]-2-phenylbenzamide
CID 166328881
N-(3-methoxyphenyl)-N'-(2-phenoxyphenyl)oxamide
CID 108987248
N-(1-benzylpiperidin-4-yl)-4-[methyl-[(3-phenoxyphenyl)carbamoyl]amino]benzamide
CID 91133841
3-[4-[3-[2-(3-methoxyphenyl)ethylcarbamoyl-methylamino]phenyl]-3-(4,4,4-trifluorobutoxy)phenyl]propanoic acid
CID 69114201

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea?
The IUPAC name of 1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea (CID 141136649) is 1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea.
What is the SMILES notation for 1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea?
The canonical SMILES for 1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea is COc1cc(COc2ccccc2-c2cccc(N(C)C(=O)Nc3cccc(Oc4ccccc4)c3)c2)cc(OC)c1.
What is the InChIKey of 1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea?
The InChIKey is RAIQYGYANMBESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O5/c1-37(35(38)36-27-12-10-16-30(22-27)42-29-14-5-4-6-15-29)28-13-9-11-26(21-28)33-17-7-8-18-34(33)41-24-25-19-31(39-2)23-32(20-25)40-3/h4-23H,24H2,1-3H3,(H,36,38).
What are the key properties of 1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea?
1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea has a molecular weight of 560.65 g/mol, XLogP of 8.41, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(3,5-dimethoxyphenyl)methoxy]phenyl]phenyl]-1-methyl-3-(3-phenoxyphenyl)urea is sourced from PubChem (CID 141136649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).