1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea

C19H24N2O — CID 70615302

IUPAC1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea
SMILESCc1ccc(CC(C)NC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H24N2O/c1-13-8-10-17(11-9-13)12-15(3)20-19(22)21-18-7-5-6-14(2)16(18)4/h5-11,15H,12H2,1-4H3,(H2,20,21,22)
InChIKeyWBZXMAMHDCNSFJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.36
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea

1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea (PubChem CID 70615302) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea
PubChem CID70615302
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea
SMILESCc1ccc(CC(C)NC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H24N2O/c1-13-8-10-17(11-9-13)12-15(3)20-19(22)21-18-7-5-6-14(2)16(18)4/h5-11,15H,12H2,1-4H3,(H2,20,21,22)
InChIKeyWBZXMAMHDCNSFJ-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 124594257
3-[(2,3-dimethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 113416485
(2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide
CID 97250492
N-[1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4797784
1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea
CID 47192192
2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61200115
(2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 6956422
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
3-[(2-methylphenyl)carbamoylamino]butanoic acid
CID 61196856
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea (CID 70615302) is 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea is Cc1ccc(CC(C)NC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea?
The InChIKey is WBZXMAMHDCNSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13-8-10-17(11-9-13)12-15(3)20-19(22)21-18-7-5-6-14(2)16(18)4/h5-11,15H,12H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea?
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea has a molecular weight of 296.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea is sourced from PubChem (CID 70615302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).