1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea

C22H30N2O — CID 141049906

IUPAC1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(N(C(N)=O)c2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C22H30N2O/c1-14(2)17-10-12-18(13-11-17)24(22(23)25)21-19(15(3)4)8-7-9-20(21)16(5)6/h7-16H,1-6H3,(H2,23,25)
InChIKeyJACYSXDMCCTKFX-UHFFFAOYSA-N
MW338.50 g/mol
LogP6.27
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea

1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea (PubChem CID 141049906) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea
PubChem CID141049906
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(N(C(N)=O)c2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C22H30N2O/c1-14(2)17-10-12-18(13-11-17)24(22(23)25)21-19(15(3)4)8-7-9-20(21)16(5)6/h7-16H,1-6H3,(H2,23,25)
InChIKeyJACYSXDMCCTKFX-UHFFFAOYSA-N
XLogP6.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[2,6-di(propan-2-yl)phenyl]-N-methylacetamide
CID 28794600
1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea
CID 154451516
1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
CID 170970604
N-[2,6-di(propan-2-yl)phenyl]-3-hydroxy-N-(3-hydroxybenzoyl)benzamide
CID 177222127
bis(carbamothioic S-acid);cumene
CID 87644989
2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide
CID 142656757
N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
CID 115194451
2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092607
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide
CID 115175423
carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene
CID 174706282
4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)benzoic acid
CID 139957756

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea (CID 141049906) is 1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(N(C(N)=O)c2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea?
The InChIKey is JACYSXDMCCTKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-14(2)17-10-12-18(13-11-17)24(22(23)25)21-19(15(3)4)8-7-9-20(21)16(5)6/h7-16H,1-6H3,(H2,23,25).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea?
1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea has a molecular weight of 338.50 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 141049906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).