1-(4-tert-butylphenyl)-3-methoxyurea

C12H18N2O2 — CID 154930476

IUPAC1-(4-tert-butylphenyl)-3-methoxyurea
SMILESCONC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)9-5-7-10(8-6-9)13-11(15)14-16-4/h5-8H,1-4H3,(H2,13,14,15)
InChIKeyMNZVFKBVTRVHSN-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.67
Rot. Bonds2

About 1-(4-tert-butylphenyl)-3-methoxyurea

1-(4-tert-butylphenyl)-3-methoxyurea (PubChem CID 154930476) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-methoxyurea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-methoxyurea
PubChem CID154930476
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(4-tert-butylphenyl)-3-methoxyurea
SMILESCONC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)9-5-7-10(8-6-9)13-11(15)14-16-4/h5-8H,1-4H3,(H2,13,14,15)
InChIKeyMNZVFKBVTRVHSN-UHFFFAOYSA-N
XLogP2.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.67
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

tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108884862
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
1-(4-tert-butylphenyl)-3-(chloromethyl)urea
CID 142021832
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-(4-tert-butylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871893
(2R)-2-amino-N-(4-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 125499160
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326
N-methoxy-4-(phenylcarbamoylamino)benzamide
CID 33101054

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-methoxyurea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-methoxyurea (CID 154930476) is 1-(4-tert-butylphenyl)-3-methoxyurea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-methoxyurea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-methoxyurea is CONC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-methoxyurea?
The InChIKey is MNZVFKBVTRVHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)9-5-7-10(8-6-9)13-11(15)14-16-4/h5-8H,1-4H3,(H2,13,14,15).
What are the key properties of 1-(4-tert-butylphenyl)-3-methoxyurea?
1-(4-tert-butylphenyl)-3-methoxyurea has a molecular weight of 222.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-methoxyurea is sourced from PubChem (CID 154930476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).