1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea

C20H26N2O — CID 113213273

IUPAC1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)NCC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-15(2)16-10-12-18(13-11-16)22-19(23)21-14-20(3,4)17-8-6-5-7-9-17/h5-13,15H,14H2,1-4H3,(H2,21,22,23)
InChIKeyOCTRSSGZYJQGEY-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.91
Rot. Bonds5

About 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea

1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 113213273) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
PubChem CID113213273
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)NCC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-15(2)16-10-12-18(13-11-16)22-19(23)21-14-20(3,4)17-8-6-5-7-9-17/h5-13,15H,14H2,1-4H3,(H2,21,22,23)
InChIKeyOCTRSSGZYJQGEY-UHFFFAOYSA-N
XLogP4.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 113213293
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783
1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213313
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
1-[4-[2-methyl-4-(4-propan-2-ylphenoxy)butan-2-yl]phenyl]-3-phenylurea
CID 142994070
[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea
CID 115168740
N-[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamoyl bromide
CID 115194195
1-(1,3-benzodioxol-5-yl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213317

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea (CID 113213273) is 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)NCC(C)(C)c2ccccc2)cc1.
What is the InChIKey of 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is OCTRSSGZYJQGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)16-10-12-18(13-11-16)22-19(23)21-14-20(3,4)17-8-6-5-7-9-17/h5-13,15H,14H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea?
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 310.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 113213273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).