1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea

C10H23N5O2 — CID 13032955

IUPAC1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea
SMILESCC(C)NC(=O)NN(C(=O)NC(C)C)N(C)C
InChIInChI=1S/C10H23N5O2/c1-7(2)11-9(16)13-15(14(5)6)10(17)12-8(3)4/h7-8H,1-6H3,(H,12,17)(H2,11,13,16)
InChIKeyDWUYBEFUORKJRU-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.51
Rot. Bonds3

About 1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea

1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea (PubChem CID 13032955) has the molecular formula C10H23N5O2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea.

Molecular Properties

Compound Name1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea
PubChem CID13032955
Molecular FormulaC10H23N5O2
Molecular Weight245.33 g/mol
Exact Mass245.19
IUPAC Name1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea
SMILESCC(C)NC(=O)NN(C(=O)NC(C)C)N(C)C
InChIInChI=1S/C10H23N5O2/c1-7(2)11-9(16)13-15(14(5)6)10(17)12-8(3)4/h7-8H,1-6H3,(H,12,17)(H2,11,13,16)
InChIKeyDWUYBEFUORKJRU-UHFFFAOYSA-N
XLogP0.51
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea?
The IUPAC name of 1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea (CID 13032955) is 1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea.
What is the SMILES notation for 1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea?
The canonical SMILES for 1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea is CC(C)NC(=O)NN(C(=O)NC(C)C)N(C)C.
What is the InChIKey of 1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea?
The InChIKey is DWUYBEFUORKJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O2/c1-7(2)11-9(16)13-15(14(5)6)10(17)12-8(3)4/h7-8H,1-6H3,(H,12,17)(H2,11,13,16).
What are the key properties of 1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea?
1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea has a molecular weight of 245.33 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-propan-2-yl-1-(propan-2-ylcarbamoylamino)urea is sourced from PubChem (CID 13032955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).