1-(4-methylphenyl)-3-propan-2-yloxyurea

C11H16N2O2 — CID 5118851

IUPAC1-(4-methylphenyl)-3-propan-2-yloxyurea
SMILESCc1ccc(NC(=O)NOC(C)C)cc1
InChIInChI=1S/C11H16N2O2/c1-8(2)15-13-11(14)12-10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H2,12,13,14)
InChIKeyKHIZEDQFAWAOCV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.46
Rot. Bonds3

About 1-(4-methylphenyl)-3-propan-2-yloxyurea

1-(4-methylphenyl)-3-propan-2-yloxyurea (PubChem CID 5118851) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-propan-2-yloxyurea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-propan-2-yloxyurea
PubChem CID5118851
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(4-methylphenyl)-3-propan-2-yloxyurea
SMILESCc1ccc(NC(=O)NOC(C)C)cc1
InChIInChI=1S/C11H16N2O2/c1-8(2)15-13-11(14)12-10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H2,12,13,14)
InChIKeyKHIZEDQFAWAOCV-UHFFFAOYSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
amino N-(4-methylphenyl)carbamate
CID 22737872
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371
[(4-methylphenyl)carbamoylamino] 2,2,2-trifluoroacetate
CID 91200524
1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea
CID 113342009
1-butoxy-3-(4-methylphenyl)urea
CID 5118852
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
N-(4-methylphenyl)acetamide
CID 7684
4-methyl-N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide
CID 143491833
1-(2-ethoxypropyl)-3-(4-methylphenyl)urea
CID 121261528
1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea
CID 106357297

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-propan-2-yloxyurea?
The IUPAC name of 1-(4-methylphenyl)-3-propan-2-yloxyurea (CID 5118851) is 1-(4-methylphenyl)-3-propan-2-yloxyurea.
What is the SMILES notation for 1-(4-methylphenyl)-3-propan-2-yloxyurea?
The canonical SMILES for 1-(4-methylphenyl)-3-propan-2-yloxyurea is Cc1ccc(NC(=O)NOC(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-propan-2-yloxyurea?
The InChIKey is KHIZEDQFAWAOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)15-13-11(14)12-10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H2,12,13,14).
What are the key properties of 1-(4-methylphenyl)-3-propan-2-yloxyurea?
1-(4-methylphenyl)-3-propan-2-yloxyurea has a molecular weight of 208.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-propan-2-yloxyurea is sourced from PubChem (CID 5118851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).