3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea

C11H16N4O2 — CID 107469909

IUPAC3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea
SMILES[H]/N=C(\N)c1cccc(OC)c1NC(=O)N(C)C
InChIInChI=1S/C11H16N4O2/c1-15(2)11(16)14-9-7(10(12)13)5-4-6-8(9)17-3/h4-6H,1-3H3,(H3,12,13)(H,14,16)
InChIKeyIHYOMNYYJGDBRF-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.07
Rot. Bonds3

About 3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea

3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea (PubChem CID 107469909) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea
PubChem CID107469909
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea
SMILES[H]/N=C(\N)c1cccc(OC)c1NC(=O)N(C)C
InChIInChI=1S/C11H16N4O2/c1-15(2)11(16)14-9-7(10(12)13)5-4-6-8(9)17-3/h4-6H,1-3H3,(H3,12,13)(H,14,16)
InChIKeyIHYOMNYYJGDBRF-UHFFFAOYSA-N
XLogP1.07
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate
CID 107469921
1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea
CID 107469918
3-(2-carbamimidoylphenyl)-1,1-dimethylurea
CID 79153438
2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide
CID 82253483
N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide
CID 107469923
2-acetamido-3-methoxy-N,N-dimethylbenzamide
CID 140972358
3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide
CID 107469971
3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide
CID 107469946
3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide
CID 107469929
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide
CID 82253340
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea?
The IUPAC name of 3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea (CID 107469909) is 3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea is [H]/N=C(\N)c1cccc(OC)c1NC(=O)N(C)C.
What is the InChIKey of 3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea?
The InChIKey is IHYOMNYYJGDBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15(2)11(16)14-9-7(10(12)13)5-4-6-8(9)17-3/h4-6H,1-3H3,(H3,12,13)(H,14,16).
What are the key properties of 3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea?
3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea has a molecular weight of 236.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea is sourced from PubChem (CID 107469909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).