benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea

C12H19N3O2 — CID 174793875

IUPACbenzene;3-(dimethylcarbamoyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC(=O)N(C)C.c1ccccc1
InChIInChI=1S/C6H13N3O2.C6H6/c1-8(2)5(10)7-6(11)9(3)4;1-2-4-6-5-3-1/h1-4H3,(H,7,10,11);1-6H
InChIKeyLQWGHXWJQLDZIZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.63
Rot. Bonds

About benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea

benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea (PubChem CID 174793875) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea.

Molecular Properties

Compound Namebenzene;3-(dimethylcarbamoyl)-1,1-dimethylurea
PubChem CID174793875
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namebenzene;3-(dimethylcarbamoyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC(=O)N(C)C.c1ccccc1
InChIInChI=1S/C6H13N3O2.C6H6/c1-8(2)5(10)7-6(11)9(3)4;1-2-4-6-5-3-1/h1-4H3,(H,7,10,11);1-6H
InChIKeyLQWGHXWJQLDZIZ-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea?
The IUPAC name of benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea (CID 174793875) is benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea.
What is the SMILES notation for benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea?
The canonical SMILES for benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea is CN(C)C(=O)NC(=O)N(C)C.c1ccccc1.
What is the InChIKey of benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea?
The InChIKey is LQWGHXWJQLDZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2.C6H6/c1-8(2)5(10)7-6(11)9(3)4;1-2-4-6-5-3-1/h1-4H3,(H,7,10,11);1-6H.
What are the key properties of benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea?
benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea has a molecular weight of 237.30 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-(dimethylcarbamoyl)-1,1-dimethylurea is sourced from PubChem (CID 174793875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).