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

C24H26N2O3 — CID 11025578

IUPAC1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea
SMILESCOc1ccc(CC(C)N(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O3/c1-18(17-19-9-13-21(28-3)14-10-19)26(2)24(27)25-20-11-15-23(16-12-20)29-22-7-5-4-6-8-22/h4-16,18H,17H2,1-3H3,(H,25,27)
InChIKeyCWXRXILRVRBHNJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.58
Rot. Bonds7

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

1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea (PubChem CID 11025578) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea
PubChem CID11025578
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea
SMILESCOc1ccc(CC(C)N(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O3/c1-18(17-19-9-13-21(28-3)14-10-19)26(2)24(27)25-20-11-15-23(16-12-20)29-22-7-5-4-6-8-22/h4-16,18H,17H2,1-3H3,(H,25,27)
InChIKeyCWXRXILRVRBHNJ-UHFFFAOYSA-N
XLogP5.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea (CID 11025578) is 1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea is COc1ccc(CC(C)N(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea?
The InChIKey is CWXRXILRVRBHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-18(17-19-9-13-21(28-3)14-10-19)26(2)24(27)25-20-11-15-23(16-12-20)29-22-7-5-4-6-8-22/h4-16,18H,17H2,1-3H3,(H,25,27).
What are the key properties of 1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea?
1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea has a molecular weight of 390.48 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)propan-2-yl]-1-methyl-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 11025578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).