N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide

C13H19N3O6 — CID 134566947

IUPACN-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
SMILESCC(=O)N(CC1CO1)C(=O)N(CC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C13H19N3O6/c1-8(17)15(3-10-6-21-10)13(19)16(4-11-7-22-11)12(18)14-2-9-5-20-9/h9-11H,2-7H2,1H3,(H,14,18)
InChIKeyXEWZUBJUSJWECU-UHFFFAOYSA-N
MW313.31 g/mol
LogP-0.84
Rot. Bonds6

About N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide

N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide (PubChem CID 134566947) has the molecular formula C13H19N3O6 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
PubChem CID134566947
Molecular FormulaC13H19N3O6
Molecular Weight313.31 g/mol
Exact Mass313.13
IUPAC NameN-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
SMILESCC(=O)N(CC1CO1)C(=O)N(CC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C13H19N3O6/c1-8(17)15(3-10-6-21-10)13(19)16(4-11-7-22-11)12(18)14-2-9-5-20-9/h9-11H,2-7H2,1H3,(H,14,18)
InChIKeyXEWZUBJUSJWECU-UHFFFAOYSA-N
XLogP-0.84
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-1,3-bis(oxiran-2-ylmethyl)urea
CID 18350061
1,3-Bis(oxiran-2-ylmethyl)-1-(oxiran-2-ylmethylcarbamoyl)urea
CID 88324956
N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
CID 88863879
3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea
CID 89020626
3-Ethyl-1,1-bis(oxiran-2-ylmethyl)urea
CID 90100578
1-(3-Hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 90243288
N-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
CID 91196229
1-Methyl-1,3-bis(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea
CID 117749983
N-(oxiran-2-ylmethylcarbamoyl)acetamide
CID 118485956
N-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
CID 123919780
N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]formamide
CID 124007174
N-[acetyl(oxiran-2-ylmethyl)carbamoyl]acetamide
CID 132075955

Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide?
The IUPAC name of N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide (CID 134566947) is N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide.
What is the SMILES notation for N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide?
The canonical SMILES for N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide is CC(=O)N(CC1CO1)C(=O)N(CC1CO1)C(=O)NCC1CO1.
What is the InChIKey of N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide?
The InChIKey is XEWZUBJUSJWECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O6/c1-8(17)15(3-10-6-21-10)13(19)16(4-11-7-22-11)12(18)14-2-9-5-20-9/h9-11H,2-7H2,1H3,(H,14,18).
What are the key properties of N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide?
N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide has a molecular weight of 313.31 g/mol, XLogP of -0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide is sourced from PubChem (CID 134566947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).