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

C8H14N2O3 — CID 138738782

IUPACN-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide
SMILESCC(=O)N(C)C(=O)N(C)CC1CO1
InChIInChI=1S/C8H14N2O3/c1-6(11)10(3)8(12)9(2)4-7-5-13-7/h7H,4-5H2,1-3H3
InChIKeyKBUXUVQXCMJTKI-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.08
Rot. Bonds2

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

N-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide (PubChem CID 138738782) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide
PubChem CID138738782
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC NameN-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide
SMILESCC(=O)N(C)C(=O)N(C)CC1CO1
InChIInChI=1S/C8H14N2O3/c1-6(11)10(3)8(12)9(2)4-7-5-13-7/h7H,4-5H2,1-3H3
InChIKeyKBUXUVQXCMJTKI-UHFFFAOYSA-N
XLogP-0.08
TPSA53.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyl-1,3-bis(oxiran-2-ylmethyl)urea
CID 20331555
1,3-Dimethyl-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 22975919
1-(Oxiran-2-ylmethyl)-3,5-dipropyl-1,3,5-triazinane-2,4,6-trione
CID 53790265
1,3-Diethyl-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 53967338
N-[acetyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
CID 88863879
N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
CID 89365436
N-[ethyl(methyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
CID 91196229
N-[methyl(propan-2-yl)carbamoyl]-N-[1-(oxiran-2-yl)ethyl]acetamide
CID 91546579
N-(oxiran-2-ylmethylcarbamoyl)acetamide
CID 118485956
1,3-Bis(2-methoxyethyl)-5-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 123910684
N-[methyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)acetamide
CID 123919780
N-[acetyl(oxiran-2-ylmethyl)carbamoyl]acetamide
CID 132075955

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide?
The IUPAC name of N-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide (CID 138738782) is N-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide.
What is the SMILES notation for N-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide?
The canonical SMILES for N-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide is CC(=O)N(C)C(=O)N(C)CC1CO1.
What is the InChIKey of N-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide?
The InChIKey is KBUXUVQXCMJTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)10(3)8(12)9(2)4-7-5-13-7/h7H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide?
N-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide has a molecular weight of 186.21 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl(oxiran-2-ylmethyl)carbamoyl]acetamide is sourced from PubChem (CID 138738782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).