1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea

C17H20N2O — CID 108991139

IUPAC1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N(C)c2ccccc2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-10-13(2)16(14(3)11-12)18-17(20)19(4)15-8-6-5-7-9-15/h5-11H,1-4H3,(H,18,20)
InChIKeySNWUREHZMPAPSM-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.28
Rot. Bonds2

About 1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea

1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea (PubChem CID 108991139) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea
PubChem CID108991139
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N(C)c2ccccc2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-10-13(2)16(14(3)11-12)18-17(20)19(4)15-8-6-5-7-9-15/h5-11H,1-4H3,(H,18,20)
InChIKeySNWUREHZMPAPSM-UHFFFAOYSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521008
2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 63644567
N'-(4-hydroxyphenyl)-N'-methyl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512267
2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113153664
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
N-[(2,6-dimethylphenyl)carbamoyl]-N-phenylacetamide
CID 24854469
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 61183574

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea (CID 108991139) is 1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)N(C)c2ccccc2)c(C)c1.
What is the InChIKey of 1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is SNWUREHZMPAPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-10-13(2)16(14(3)11-12)18-17(20)19(4)15-8-6-5-7-9-15/h5-11H,1-4H3,(H,18,20).
What are the key properties of 1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea?
1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 268.36 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 108991139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).