3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea

C13H20N4O2 — CID 67750256

IUPAC3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea
SMILESCc1cccc(NC(=O)N(C)C)c1NC(=O)N(C)C
InChIInChI=1S/C13H20N4O2/c1-9-7-6-8-10(14-12(18)16(2)3)11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)
InChIKeyLICPRAGYYJUDFQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.18
Rot. Bonds2

About 3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea

3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea (PubChem CID 67750256) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea
PubChem CID67750256
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea
SMILESCc1cccc(NC(=O)N(C)C)c1NC(=O)N(C)C
InChIInChI=1S/C13H20N4O2/c1-9-7-6-8-10(14-12(18)16(2)3)11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)
InChIKeyLICPRAGYYJUDFQ-UHFFFAOYSA-N
XLogP2.18
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea
CID 82507361
[2-(methoxycarbonylamino)-3-methylphenyl]carbamic acid
CID 175129828
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide
CID 110190796
1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea
CID 23819618
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
3-(2-hydroxy-4-methylphenyl)-1,1-dimethylurea
CID 79154521
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea
CID 142476554
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea
CID 3050627
N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide
CID 55697019

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea (CID 67750256) is 3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea is Cc1cccc(NC(=O)N(C)C)c1NC(=O)N(C)C.
What is the InChIKey of 3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea?
The InChIKey is LICPRAGYYJUDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-7-6-8-10(14-12(18)16(2)3)11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19).
What are the key properties of 3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea?
3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea has a molecular weight of 264.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea is sourced from PubChem (CID 67750256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).