1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea

C18H22N2O — CID 110410273

IUPAC1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea
SMILESCc1ccc(CC(C)(C)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-14-9-11-15(12-10-14)13-18(2,3)20-17(21)19-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H2,19,20,21)
InChIKeyIYURMVZJEKRTSJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.14
Rot. Bonds4

About 1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea

1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea (PubChem CID 110410273) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea
PubChem CID110410273
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea
SMILESCc1ccc(CC(C)(C)NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-14-9-11-15(12-10-14)13-18(2,3)20-17(21)19-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H2,19,20,21)
InChIKeyIYURMVZJEKRTSJ-UHFFFAOYSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
CID 108867208
1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea
CID 71878380
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate
CID 23963869
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 110628349
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea
CID 113342009
1-(2-methylbut-3-en-2-yl)-3-phenylurea
CID 14940484

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea?
The IUPAC name of 1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea (CID 110410273) is 1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea?
The canonical SMILES for 1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea is Cc1ccc(CC(C)(C)NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea?
The InChIKey is IYURMVZJEKRTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-9-11-15(12-10-14)13-18(2,3)20-17(21)19-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea?
1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea has a molecular weight of 282.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea is sourced from PubChem (CID 110410273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).