1,1-bis(2,3,4-triethylphenyl)urea

C25H36N2O — CID 67225349

IUPAC1,1-bis(2,3,4-triethylphenyl)urea
SMILESCCc1ccc(N(C(N)=O)c2ccc(CC)c(CC)c2CC)c(CC)c1CC
InChIInChI=1S/C25H36N2O/c1-7-17-13-15-23(21(11-5)19(17)9-3)27(25(26)28)24-16-14-18(8-2)20(10-4)22(24)12-6/h13-16H,7-12H2,1-6H3,(H2,26,28)
InChIKeyPHGYVMCINRNLOA-UHFFFAOYSA-N
MW380.58 g/mol
LogP6.28
Rot. Bonds8

About 1,1-bis(2,3,4-triethylphenyl)urea

1,1-bis(2,3,4-triethylphenyl)urea (PubChem CID 67225349) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 1,1-bis(2,3,4-triethylphenyl)urea.

Molecular Properties

Compound Name1,1-bis(2,3,4-triethylphenyl)urea
PubChem CID67225349
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name1,1-bis(2,3,4-triethylphenyl)urea
SMILESCCc1ccc(N(C(N)=O)c2ccc(CC)c(CC)c2CC)c(CC)c1CC
InChIInChI=1S/C25H36N2O/c1-7-17-13-15-23(21(11-5)19(17)9-3)27(25(26)28)24-16-14-18(8-2)20(10-4)22(24)12-6/h13-16H,7-12H2,1-6H3,(H2,26,28)
InChIKeyPHGYVMCINRNLOA-UHFFFAOYSA-N
XLogP6.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2,3,4-triethylphenyl)urea?
The IUPAC name of 1,1-bis(2,3,4-triethylphenyl)urea (CID 67225349) is 1,1-bis(2,3,4-triethylphenyl)urea.
What is the SMILES notation for 1,1-bis(2,3,4-triethylphenyl)urea?
The canonical SMILES for 1,1-bis(2,3,4-triethylphenyl)urea is CCc1ccc(N(C(N)=O)c2ccc(CC)c(CC)c2CC)c(CC)c1CC.
What is the InChIKey of 1,1-bis(2,3,4-triethylphenyl)urea?
The InChIKey is PHGYVMCINRNLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c1-7-17-13-15-23(21(11-5)19(17)9-3)27(25(26)28)24-16-14-18(8-2)20(10-4)22(24)12-6/h13-16H,7-12H2,1-6H3,(H2,26,28).
What are the key properties of 1,1-bis(2,3,4-triethylphenyl)urea?
1,1-bis(2,3,4-triethylphenyl)urea has a molecular weight of 380.58 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2,3,4-triethylphenyl)urea is sourced from PubChem (CID 67225349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).