1-amino-3-(2-propan-2-yloxyphenyl)urea

C10H15N3O2 — CID 82283845

IUPAC1-amino-3-(2-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)NN
InChIInChI=1S/C10H15N3O2/c1-7(2)15-9-6-4-3-5-8(9)12-10(14)13-11/h3-7H,11H2,1-2H3,(H2,12,13,14)
InChIKeySHUKEKDOFCPFAZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.47
Rot. Bonds3

About 1-amino-3-(2-propan-2-yloxyphenyl)urea

1-amino-3-(2-propan-2-yloxyphenyl)urea (PubChem CID 82283845) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-amino-3-(2-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-amino-3-(2-propan-2-yloxyphenyl)urea
PubChem CID82283845
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-amino-3-(2-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)NN
InChIInChI=1S/C10H15N3O2/c1-7(2)15-9-6-4-3-5-8(9)12-10(14)13-11/h3-7H,11H2,1-2H3,(H2,12,13,14)
InChIKeySHUKEKDOFCPFAZ-UHFFFAOYSA-N
XLogP1.47
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide
CID 81083212
1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
CID 47221939
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
1-(2-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992097
2-(aminomethyl)-4,4-dimethyl-N-(2-propan-2-yloxyphenyl)pentanamide
CID 107471273
4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 28511787
1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
CID 110492341
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992103

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-amino-3-(2-propan-2-yloxyphenyl)urea (CID 82283845) is 1-amino-3-(2-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-amino-3-(2-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-amino-3-(2-propan-2-yloxyphenyl)urea is CC(C)Oc1ccccc1NC(=O)NN.
What is the InChIKey of 1-amino-3-(2-propan-2-yloxyphenyl)urea?
The InChIKey is SHUKEKDOFCPFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)15-9-6-4-3-5-8(9)12-10(14)13-11/h3-7H,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(2-propan-2-yloxyphenyl)urea?
1-amino-3-(2-propan-2-yloxyphenyl)urea has a molecular weight of 209.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 82283845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).