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

C23H30N2O3 — CID 67915089

IUPAC1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1N(CC1(c2ccccc2)OCCO1)C(N)=O
InChIInChI=1S/C23H30N2O3/c1-16(2)19-11-8-12-20(17(3)4)21(19)25(22(24)26)15-23(27-13-14-28-23)18-9-6-5-7-10-18/h5-12,16-17H,13-15H2,1-4H3,(H2,24,26)
InChIKeySQLITYMSTFHRHI-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.72
Rot. Bonds6

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

1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea (PubChem CID 67915089) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea
PubChem CID67915089
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1N(CC1(c2ccccc2)OCCO1)C(N)=O
InChIInChI=1S/C23H30N2O3/c1-16(2)19-11-8-12-20(17(3)4)21(19)25(22(24)26)15-23(27-13-14-28-23)18-9-6-5-7-10-18/h5-12,16-17H,13-15H2,1-4H3,(H2,24,26)
InChIKeySQLITYMSTFHRHI-UHFFFAOYSA-N
XLogP4.72
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea (CID 67915089) is 1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea is CC(C)c1cccc(C(C)C)c1N(CC1(c2ccccc2)OCCO1)C(N)=O.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea?
The InChIKey is SQLITYMSTFHRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16(2)19-11-8-12-20(17(3)4)21(19)25(22(24)26)15-23(27-13-14-28-23)18-9-6-5-7-10-18/h5-12,16-17H,13-15H2,1-4H3,(H2,24,26).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea?
1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea has a molecular weight of 382.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]urea is sourced from PubChem (CID 67915089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).