N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide

C8H13NO4 — CID 174256719

IUPACN-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide
SMILESCCN(OCC1CO1)C(=O)C(C)=O
InChIInChI=1S/C8H13NO4/c1-3-9(8(11)6(2)10)13-5-7-4-12-7/h7H,3-5H2,1-2H3
InChIKeyHVMRLGRCESNIRT-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.25
Rot. Bonds5

About N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide

N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide (PubChem CID 174256719) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide.

Molecular Properties

Compound NameN-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide
PubChem CID174256719
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC NameN-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide
SMILESCCN(OCC1CO1)C(=O)C(C)=O
InChIInChI=1S/C8H13NO4/c1-3-9(8(11)6(2)10)13-5-7-4-12-7/h7H,3-5H2,1-2H3
InChIKeyHVMRLGRCESNIRT-UHFFFAOYSA-N
XLogP-0.25
TPSA59.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide
CID 173404632
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
CID 21422545
bis(oxiran-2-ylmethyl) 2-ethylpropanedioate
CID 141095093
1-ethyl-1-(oxiran-2-ylmethyl)urea
CID 141285145
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea
CID 151140940
oxiran-2-ylmethyl 2-methylpent-2-enoate
CID 57029570
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide?
The IUPAC name of N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide (CID 174256719) is N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide.
What is the SMILES notation for N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide?
The canonical SMILES for N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide is CCN(OCC1CO1)C(=O)C(C)=O.
What is the InChIKey of N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide?
The InChIKey is HVMRLGRCESNIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-3-9(8(11)6(2)10)13-5-7-4-12-7/h7H,3-5H2,1-2H3.
What are the key properties of N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide?
N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide has a molecular weight of 187.19 g/mol, XLogP of -0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxiran-2-ylmethoxy)-2-oxopropanamide is sourced from PubChem (CID 174256719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).