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

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

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-1-[5-methyl-2-(1-methylindol-3-yl)hex-4-enyl]urea
CID 54057644
2-(2-methylpropyl)-2-phenyl-1,3-dioxane
CID 89439871
5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol
CID 68649617
ethane;(2S)-2-methyl-3-[2-(4-phenylphenyl)-1,3-dioxolan-2-yl]propanoic acid
CID 90916692
2-(2-propan-2-ylphenyl)acetamide
CID 22163985
1-[2,6-di(propan-2-yl)phenyl]-1-[[1-(3-propylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]urea
CID 67794157
ethane;(2S)-N-methoxy-2-methyl-3-[2-(4-phenylphenyl)-1,3-dioxolan-2-yl]propanamide
CID 91447881
N-[2-(2-phenyl-1,3-dioxolan-2-yl)ethoxy]-2,4,6-tri(propan-2-yl)aniline
CID 144690568
N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113178550
2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate
CID 143933613
2-amino-N-[2,6-di(propan-2-yl)phenyl]-N-methylacetamide
CID 28794600
1-[[1-(3-butylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-1-[2,6-di(propan-2-yl)phenyl]urea
CID 54484344

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).