ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea

C15H23N5O3 — CID 54082692

IUPACethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea
SMILESCC.CNC(=O)NC1(NC(=O)NC)C(=O)N(C)c2ccccc21
InChIInChI=1S/C13H17N5O3.C2H6/c1-14-11(20)16-13(17-12(21)15-2)8-6-4-5-7-9(8)18(3)10(13)19;1-2/h4-7H,1-3H3,(H2,14,16,20)(H2,15,17,21);1-2H3
InChIKeyMOFPCSLLIYLVCW-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.70
Rot. Bonds2

About ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea

ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea (PubChem CID 54082692) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea.

Molecular Properties

Compound Nameethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea
PubChem CID54082692
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Nameethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea
SMILESCC.CNC(=O)NC1(NC(=O)NC)C(=O)N(C)c2ccccc21
InChIInChI=1S/C13H17N5O3.C2H6/c1-14-11(20)16-13(17-12(21)15-2)8-6-4-5-7-9(8)18(3)10(13)19;1-2/h4-7H,1-3H3,(H2,14,16,20)(H2,15,17,21);1-2H3
InChIKeyMOFPCSLLIYLVCW-UHFFFAOYSA-N
XLogP0.70
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea?
The IUPAC name of ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea (CID 54082692) is ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea.
What is the SMILES notation for ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea?
The canonical SMILES for ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea is CC.CNC(=O)NC1(NC(=O)NC)C(=O)N(C)c2ccccc21.
What is the InChIKey of ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea?
The InChIKey is MOFPCSLLIYLVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3.C2H6/c1-14-11(20)16-13(17-12(21)15-2)8-6-4-5-7-9(8)18(3)10(13)19;1-2/h4-7H,1-3H3,(H2,14,16,20)(H2,15,17,21);1-2H3.
What are the key properties of ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea?
ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea has a molecular weight of 321.38 g/mol, XLogP of 0.70, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea is sourced from PubChem (CID 54082692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).