N,N'-bis(oxiran-2-ylmethyl)butanediamide

C10H16N2O4 — CID 175178142

IUPACN,N'-bis(oxiran-2-ylmethyl)butanediamide
SMILESO=C(CCC(=O)NCC1CO1)NCC1CO1
InChIInChI=1S/C10H16N2O4/c13-9(11-3-7-5-15-7)1-2-10(14)12-4-8-6-16-8/h7-8H,1-6H2,(H,11,13)(H,12,14)
InChIKeyZOPHVABURXKUKT-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.20
Rot. Bonds7

About N,N'-bis(oxiran-2-ylmethyl)butanediamide

N,N'-bis(oxiran-2-ylmethyl)butanediamide (PubChem CID 175178142) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N,N'-bis(oxiran-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(oxiran-2-ylmethyl)butanediamide
PubChem CID175178142
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC NameN,N'-bis(oxiran-2-ylmethyl)butanediamide
SMILESO=C(CCC(=O)NCC1CO1)NCC1CO1
InChIInChI=1S/C10H16N2O4/c13-9(11-3-7-5-15-7)1-2-10(14)12-4-8-6-16-8/h7-8H,1-6H2,(H,11,13)(H,12,14)
InChIKeyZOPHVABURXKUKT-UHFFFAOYSA-N
XLogP-1.20
TPSA83.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2R)-oxiran-2-yl]methyl]butanamide
CID 97180860
5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid
CID 102548386
N-(oxiran-2-ylmethyl)-2-sulfanylacetamide
CID 174615641
N-(oxiran-2-ylmethyl)-8-sulfanyloctanamide
CID 166028734
5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid
CID 61023561
2-methyl-N-(oxiran-2-ylmethyl)propanamide
CID 102548474
2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide
CID 71755387
5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide
CID 61023950
3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide
CID 102548376
N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide
CID 97180814
N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
CID 97180854
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(oxiran-2-ylmethyl)butanediamide?
The IUPAC name of N,N'-bis(oxiran-2-ylmethyl)butanediamide (CID 175178142) is N,N'-bis(oxiran-2-ylmethyl)butanediamide.
What is the SMILES notation for N,N'-bis(oxiran-2-ylmethyl)butanediamide?
The canonical SMILES for N,N'-bis(oxiran-2-ylmethyl)butanediamide is O=C(CCC(=O)NCC1CO1)NCC1CO1.
What is the InChIKey of N,N'-bis(oxiran-2-ylmethyl)butanediamide?
The InChIKey is ZOPHVABURXKUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-9(11-3-7-5-15-7)1-2-10(14)12-4-8-6-16-8/h7-8H,1-6H2,(H,11,13)(H,12,14).
What are the key properties of N,N'-bis(oxiran-2-ylmethyl)butanediamide?
N,N'-bis(oxiran-2-ylmethyl)butanediamide has a molecular weight of 228.25 g/mol, XLogP of -1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(oxiran-2-ylmethyl)butanediamide is sourced from PubChem (CID 175178142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).