1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea

C28H28N2O3 — CID 67698513

IUPAC1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N(Cc2ccc(Oc3ccccc3)cc2)Cc2ccco2)c(C)c1
InChIInChI=1S/C28H28N2O3/c1-20-16-21(2)27(22(3)17-20)29-28(31)30(19-26-10-7-15-32-26)18-23-11-13-25(14-12-23)33-24-8-5-4-6-9-24/h4-17H,18-19H2,1-3H3,(H,29,31)
InChIKeyBWFSWEQWSWQGSI-UHFFFAOYSA-N
MW440.54 g/mol
LogP7.23
Rot. Bonds7

About 1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea

1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 67698513) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID67698513
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N(Cc2ccc(Oc3ccccc3)cc2)Cc2ccco2)c(C)c1
InChIInChI=1S/C28H28N2O3/c1-20-16-21(2)27(22(3)17-20)29-28(31)30(19-26-10-7-15-32-26)18-23-11-13-25(14-12-23)33-24-8-5-4-6-9-24/h4-17H,18-19H2,1-3H3,(H,29,31)
InChIKeyBWFSWEQWSWQGSI-UHFFFAOYSA-N
XLogP7.23
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis[furan-2-ylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid
CID 19048170
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858
[4-[[(3,4-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate
CID 4643429
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565
3-[furan-2-ylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid
CID 67663893
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 18830852
1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea
CID 4174927
1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea
CID 60577721
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
[4-[[(3-fluorophenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate
CID 4599488
[4-[[furan-2-ylmethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 4197444

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea (CID 67698513) is 1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)N(Cc2ccc(Oc3ccccc3)cc2)Cc2ccco2)c(C)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is BWFSWEQWSWQGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-20-16-21(2)27(22(3)17-20)29-28(31)30(19-26-10-7-15-32-26)18-23-11-13-25(14-12-23)33-24-8-5-4-6-9-24/h4-17H,18-19H2,1-3H3,(H,29,31).
What are the key properties of 1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea?
1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 440.54 g/mol, XLogP of 7.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 67698513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).