benzene;1,3-dimethylurea;methyl N-methylcarbamate

C18H27N3O3 — CID 90708929

IUPACbenzene;1,3-dimethylurea;methyl N-methylcarbamate
SMILESCNC(=O)NC.CNC(=O)OC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C3H8N2O.C3H7NO2/c2*1-2-4-6-5-3-1;1-4-3(6)5-2;1-4-3(5)6-2/h2*1-6H;1-2H3,(H2,4,5,6);1-2H3,(H,4,5)
InChIKeyCDLFWAUNCZZZGI-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.89
Rot. Bonds

About benzene;1,3-dimethylurea;methyl N-methylcarbamate

benzene;1,3-dimethylurea;methyl N-methylcarbamate (PubChem CID 90708929) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is benzene;1,3-dimethylurea;methyl N-methylcarbamate.

Molecular Properties

Compound Namebenzene;1,3-dimethylurea;methyl N-methylcarbamate
PubChem CID90708929
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Namebenzene;1,3-dimethylurea;methyl N-methylcarbamate
SMILESCNC(=O)NC.CNC(=O)OC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C3H8N2O.C3H7NO2/c2*1-2-4-6-5-3-1;1-4-3(6)5-2;1-4-3(5)6-2/h2*1-6H;1-2H3,(H2,4,5,6);1-2H3,(H,4,5)
InChIKeyCDLFWAUNCZZZGI-UHFFFAOYSA-N
XLogP2.89
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Diphenylphosphanyl-1,3-dimethylurea
CID 86209886
(Methoxycarbonylamino)methyl-triphenylphosphanium
CID 3632807
1,3-Dimethyl-1-[[methyl(methylcarbamoyl)amino]-diphenylsilyl]urea
CID 20334392
{[(Methoxycarbonyl)amino]methyl}(triphenyl)phosphanium chloride
CID 20345954
benzene;1,3-dimethylurea;methyl N-methylcarbamate;propane
CID 90767957
Benzene;1,3-bis(hydroxymethyl)urea;ethane
CID 90847969
Benzene;1,3-dimethylurea;ethane
CID 90884129
benzene;methyl N-methylcarbamate
CID 90918187
Benzene;1,3-dimethylurea;methylimino(oxo)methane
CID 90931787
Benzene;1,3-dimethylurea;ethane
CID 90938222
Benzene;1,3-dimethylurea;ethane
CID 91039129
benzene;ethane;methyl N-methylcarbamate
CID 91045757

Frequently Asked Questions

What is the IUPAC name of benzene;1,3-dimethylurea;methyl N-methylcarbamate?
The IUPAC name of benzene;1,3-dimethylurea;methyl N-methylcarbamate (CID 90708929) is benzene;1,3-dimethylurea;methyl N-methylcarbamate.
What is the SMILES notation for benzene;1,3-dimethylurea;methyl N-methylcarbamate?
The canonical SMILES for benzene;1,3-dimethylurea;methyl N-methylcarbamate is CNC(=O)NC.CNC(=O)OC.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;1,3-dimethylurea;methyl N-methylcarbamate?
The InChIKey is CDLFWAUNCZZZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.C3H8N2O.C3H7NO2/c2*1-2-4-6-5-3-1;1-4-3(6)5-2;1-4-3(5)6-2/h2*1-6H;1-2H3,(H2,4,5,6);1-2H3,(H,4,5).
What are the key properties of benzene;1,3-dimethylurea;methyl N-methylcarbamate?
benzene;1,3-dimethylurea;methyl N-methylcarbamate has a molecular weight of 333.43 g/mol, XLogP of 2.89, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,3-dimethylurea;methyl N-methylcarbamate is sourced from PubChem (CID 90708929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).