1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea

C20H26N2O2 — CID 4216212

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C20H26N2O2/c1-13(2)15-9-8-10-16(14(3)4)19(15)22-20(23)21-17-11-6-7-12-18(17)24-5/h6-14H,1-5H3,(H2,21,22,23)
InChIKeyOHBLJEYDBKTBEI-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.59
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea

1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea (PubChem CID 4216212) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea
PubChem CID4216212
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C20H26N2O2/c1-13(2)15-9-8-10-16(14(3)4)19(15)22-20(23)21-17-11-6-7-12-18(17)24-5/h6-14H,1-5H3,(H2,21,22,23)
InChIKeyOHBLJEYDBKTBEI-UHFFFAOYSA-N
XLogP5.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea (CID 4216212) is 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea?
The InChIKey is OHBLJEYDBKTBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(2)15-9-8-10-16(14(3)4)19(15)22-20(23)21-17-11-6-7-12-18(17)24-5/h6-14H,1-5H3,(H2,21,22,23).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea?
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea has a molecular weight of 326.44 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 4216212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).