1-methyl-3-(4-methylphenyl)urea;molecular hydrogen

C9H16N2O — CID 142308386

IUPAC1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
SMILESCNC(=O)Nc1ccc(C)cc1.[H][H].[H][H]
InChIInChI=1S/C9H12N2O.2H2/c1-7-3-5-8(6-4-7)11-9(12)10-2;;/h3-6H,1-2H3,(H2,10,11,12);2*1H
InChIKeySDMICEFGUPELEZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.24
Rot. Bonds1

About 1-methyl-3-(4-methylphenyl)urea;molecular hydrogen

1-methyl-3-(4-methylphenyl)urea;molecular hydrogen (PubChem CID 142308386) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)urea;molecular hydrogen.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
PubChem CID142308386
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
SMILESCNC(=O)Nc1ccc(C)cc1.[H][H].[H][H]
InChIInChI=1S/C9H12N2O.2H2/c1-7-3-5-8(6-4-7)11-9(12)10-2;;/h3-6H,1-2H3,(H2,10,11,12);2*1H
InChIKeySDMICEFGUPELEZ-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea
CID 143402372
N-(4-methylphenyl)acetamide
CID 7684
N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide
CID 91943136
(E)-N-[4-(methylcarbamoylamino)phenyl]-4-(4-methylphenyl)but-3-enamide
CID 75377813
[3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate
CID 134123027
1-(4-ethylphenyl)-3-methylurea
CID 54250791
trimethyl-[(4-methylphenyl)carbamoylamino]azanium
CID 134109961
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
4-(methylcarbamoylamino)benzenesulfonic acid
CID 58709255
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylphenyl)urea;molecular hydrogen?
The IUPAC name of 1-methyl-3-(4-methylphenyl)urea;molecular hydrogen (CID 142308386) is 1-methyl-3-(4-methylphenyl)urea;molecular hydrogen.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)urea;molecular hydrogen?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)urea;molecular hydrogen is CNC(=O)Nc1ccc(C)cc1.[H][H].[H][H].
What is the InChIKey of 1-methyl-3-(4-methylphenyl)urea;molecular hydrogen?
The InChIKey is SDMICEFGUPELEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.2H2/c1-7-3-5-8(6-4-7)11-9(12)10-2;;/h3-6H,1-2H3,(H2,10,11,12);2*1H.
What are the key properties of 1-methyl-3-(4-methylphenyl)urea;molecular hydrogen?
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen has a molecular weight of 168.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)urea;molecular hydrogen is sourced from PubChem (CID 142308386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).