3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea

C18H22N2O — CID 142476554

IUPAC3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea
SMILESCc1cccc(C)c1NC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C18H22N2O/c1-13(2)20(16-11-6-5-7-12-16)18(21)19-17-14(3)9-8-10-15(17)4/h5-13H,1-4H3,(H,19,21)
InChIKeyKGXTUEKPXMCJDZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.75
Rot. Bonds3

About 3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea

3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea (PubChem CID 142476554) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea
PubChem CID142476554
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea
SMILESCc1cccc(C)c1NC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C18H22N2O/c1-13(2)20(16-11-6-5-7-12-16)18(21)19-17-14(3)9-8-10-15(17)4/h5-13H,1-4H3,(H,19,21)
InChIKeyKGXTUEKPXMCJDZ-UHFFFAOYSA-N
XLogP4.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dimethylphenyl)carbamoyl]-N-phenylacetamide
CID 24854469
3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea
CID 3539470
3-(4-acetylphenyl)-1-phenyl-1-propan-2-ylurea
CID 74225561
sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide
CID 159131292
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide
CID 110190796
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea
CID 67750256
1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea
CID 108991139
2-[(2-chloro-6-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 66251389
(2S)-2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 28508457

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea?
The IUPAC name of 3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea (CID 142476554) is 3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea is Cc1cccc(C)c1NC(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea?
The InChIKey is KGXTUEKPXMCJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)20(16-11-6-5-7-12-16)18(21)19-17-14(3)9-8-10-15(17)4/h5-13H,1-4H3,(H,19,21).
What are the key properties of 3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea?
3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea has a molecular weight of 282.39 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea is sourced from PubChem (CID 142476554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).