1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea

C11H17IN4O2 — CID 155217818

IUPAC1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea
SMILESCC(C)Oc1cccc(N(N)C(=O)N(C)N)c1I
InChIInChI=1S/C11H17IN4O2/c1-7(2)18-9-6-4-5-8(10(9)12)16(14)11(17)15(3)13/h4-7H,13-14H2,1-3H3
InChIKeyCAGUPMWPLXWOHA-UHFFFAOYSA-N
MW364.19 g/mol
LogP1.68
Rot. Bonds3

About 1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea

1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea (PubChem CID 155217818) has the molecular formula C11H17IN4O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is 1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea.

Molecular Properties

Compound Name1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea
PubChem CID155217818
Molecular FormulaC11H17IN4O2
Molecular Weight364.19 g/mol
Exact Mass364.04
IUPAC Name1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea
SMILESCC(C)Oc1cccc(N(N)C(=O)N(C)N)c1I
InChIInChI=1S/C11H17IN4O2/c1-7(2)18-9-6-4-5-8(10(9)12)16(14)11(17)15(3)13/h4-7H,13-14H2,1-3H3
InChIKeyCAGUPMWPLXWOHA-UHFFFAOYSA-N
XLogP1.68
TPSA84.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-diamino-1-(2,3-dimethylphenyl)-3-methylurea;ethane
CID 144597779
1,3-diamino-1-[2-(bromomethyl)phenyl]-3-methylurea
CID 134360567
2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide
CID 113393311
1,3-diamino-1-[2-(methoxymethyl)-3-methylphenyl]-3-methylurea
CID 129110313
(2R)-2-[3-[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]oxy-2-iodophenoxy]-N,N-di(propan-2-yl)propanamide
CID 139125259
1,3-diamino-1-[3-methoxy-2-[[2-methyl-4-(2-methylpropanoyl)phenoxy]methyl]phenyl]-3-methylurea
CID 129109890
1,3-diamino-1-[3-ethylsulfanyl-2-(hydroxymethyl)phenyl]-3-methylurea
CID 155236408
3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide
CID 106914387
[2,3-di(propan-2-yloxy)phenyl] acetate
CID 19833391
1,3-diamino-1-[2-[(4-bromo-2,5-dimethylphenoxy)methyl]-3-methylphenyl]-3-methylurea
CID 139453824
N-(1-aminopropan-2-yl)-N-methyl-2-(2-propan-2-yloxyphenyl)acetamide
CID 119582125
ethyl-(2-propan-2-yloxyphenyl)carbamic acid
CID 57185215

Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea?
The IUPAC name of 1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea (CID 155217818) is 1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea.
What is the SMILES notation for 1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea?
The canonical SMILES for 1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea is CC(C)Oc1cccc(N(N)C(=O)N(C)N)c1I.
What is the InChIKey of 1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea?
The InChIKey is CAGUPMWPLXWOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O2/c1-7(2)18-9-6-4-5-8(10(9)12)16(14)11(17)15(3)13/h4-7H,13-14H2,1-3H3.
What are the key properties of 1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea?
1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea has a molecular weight of 364.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-1-(2-iodo-3-propan-2-yloxyphenyl)-3-methylurea is sourced from PubChem (CID 155217818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).