1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea

C11H24N4O2 — CID 142118196

IUPAC1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea
SMILESCC(C)CN(N)C(=O)N(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H24N4O2/c1-8(2)7-15(12)10(17)14(6)9(16)13-11(3,4)5/h8H,7,12H2,1-6H3,(H,13,16)
InChIKeySEWXJBXBUZOUIN-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.38
Rot. Bonds2

About 1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea

1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea (PubChem CID 142118196) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea
PubChem CID142118196
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea
SMILESCC(C)CN(N)C(=O)N(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H24N4O2/c1-8(2)7-15(12)10(17)14(6)9(16)13-11(3,4)5/h8H,7,12H2,1-6H3,(H,13,16)
InChIKeySEWXJBXBUZOUIN-UHFFFAOYSA-N
XLogP1.38
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea?
The IUPAC name of 1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea (CID 142118196) is 1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea?
The canonical SMILES for 1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea is CC(C)CN(N)C(=O)N(C)C(=O)NC(C)(C)C.
What is the InChIKey of 1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea?
The InChIKey is SEWXJBXBUZOUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-8(2)7-15(12)10(17)14(6)9(16)13-11(3,4)5/h8H,7,12H2,1-6H3,(H,13,16).
What are the key properties of 1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea?
1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea has a molecular weight of 244.34 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(tert-butylcarbamoyl)-3-methyl-1-(2-methylpropyl)urea is sourced from PubChem (CID 142118196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).