1-methoxy-3-(4-propan-2-ylphenyl)urea

C11H16N2O2 — CID 134178123

IUPAC1-methoxy-3-(4-propan-2-ylphenyl)urea
SMILESCONC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C11H16N2O2/c1-8(2)9-4-6-10(7-5-9)12-11(14)13-15-3/h4-8H,1-3H3,(H2,12,13,14)
InChIKeyCLJLZIONFFIFAK-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.49
Rot. Bonds3

About 1-methoxy-3-(4-propan-2-ylphenyl)urea

1-methoxy-3-(4-propan-2-ylphenyl)urea (PubChem CID 134178123) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methoxy-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-methoxy-3-(4-propan-2-ylphenyl)urea
PubChem CID134178123
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-methoxy-3-(4-propan-2-ylphenyl)urea
SMILESCONC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C11H16N2O2/c1-8(2)9-4-6-10(7-5-9)12-11(14)13-15-3/h4-8H,1-3H3,(H2,12,13,14)
InChIKeyCLJLZIONFFIFAK-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
1-(4-tert-butylphenyl)-3-methoxyurea
CID 154930476
propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate
CID 75393700
methyl (2S,3R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanoate
CID 945899
methyl (2R,3S)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanoate
CID 7678082
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 17180586
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
1-[1-(4-methoxyphenyl)cyclopropyl]-3-(4-propan-2-ylphenyl)urea
CID 113215661
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-methoxy-3-(4-propan-2-ylphenyl)urea (CID 134178123) is 1-methoxy-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-methoxy-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-methoxy-3-(4-propan-2-ylphenyl)urea is CONC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-methoxy-3-(4-propan-2-ylphenyl)urea?
The InChIKey is CLJLZIONFFIFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)9-4-6-10(7-5-9)12-11(14)13-15-3/h4-8H,1-3H3,(H2,12,13,14).
What are the key properties of 1-methoxy-3-(4-propan-2-ylphenyl)urea?
1-methoxy-3-(4-propan-2-ylphenyl)urea has a molecular weight of 208.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 134178123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).