3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea

C10H15N3O2 — CID 79154526

IUPAC3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
SMILESCOc1cc(NC(=O)N(C)C)ccc1N
InChIInChI=1S/C10H15N3O2/c1-13(2)10(14)12-7-4-5-8(11)9(6-7)15-3/h4-6H,11H2,1-3H3,(H,12,14)
InChIKeyATJVLRQFVVEVCZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.37
Rot. Bonds2

About 3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea

3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea (PubChem CID 79154526) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
PubChem CID79154526
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
SMILESCOc1cc(NC(=O)N(C)C)ccc1N
InChIInChI=1S/C10H15N3O2/c1-13(2)10(14)12-7-4-5-8(11)9(6-7)15-3/h4-6H,11H2,1-3H3,(H,12,14)
InChIKeyATJVLRQFVVEVCZ-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-methoxyphenyl)prop-2-ynamide
CID 61241972
1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
CID 61240826
3-(3-amino-4-chlorophenyl)-1,1-dimethylurea
CID 79154275
N-(4-amino-3-methoxyphenyl)but-3-enamide
CID 62677990
N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103805332
N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide
CID 61241779
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
1-(4-amino-3-methoxyphenyl)-3-butylurea
CID 61241787
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea?
The IUPAC name of 3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea (CID 79154526) is 3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea is COc1cc(NC(=O)N(C)C)ccc1N.
What is the InChIKey of 3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea?
The InChIKey is ATJVLRQFVVEVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13(2)10(14)12-7-4-5-8(11)9(6-7)15-3/h4-6H,11H2,1-3H3,(H,12,14).
What are the key properties of 3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea?
3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea has a molecular weight of 209.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea is sourced from PubChem (CID 79154526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).