2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide

C14H22N2O5 — CID 88734452

IUPAC2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide
SMILESNC(=O)C(CC1CO1)(CC1CO1)N(CC1CO1)CC1CO1
InChIInChI=1S/C14H22N2O5/c15-13(17)14(1-9-5-18-9,2-10-6-19-10)16(3-11-7-20-11)4-12-8-21-12/h9-12H,1-8H2,(H2,15,17)
InChIKeyLWAGGWJSCFNEOL-UHFFFAOYSA-N
MW298.34 g/mol
LogP-1.11
Rot. Bonds10

About 2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide

2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide (PubChem CID 88734452) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide
PubChem CID88734452
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide
SMILESNC(=O)C(CC1CO1)(CC1CO1)N(CC1CO1)CC1CO1
InChIInChI=1S/C14H22N2O5/c15-13(17)14(1-9-5-18-9,2-10-6-19-10)16(3-11-7-20-11)4-12-8-21-12/h9-12H,1-8H2,(H2,15,17)
InChIKeyLWAGGWJSCFNEOL-UHFFFAOYSA-N
XLogP-1.11
TPSA96.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-1.11
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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Frequently Asked Questions

What is the IUPAC name of 2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide?
The IUPAC name of 2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide (CID 88734452) is 2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide?
The canonical SMILES for 2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide is NC(=O)C(CC1CO1)(CC1CO1)N(CC1CO1)CC1CO1.
What is the InChIKey of 2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide?
The InChIKey is LWAGGWJSCFNEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c15-13(17)14(1-9-5-18-9,2-10-6-19-10)16(3-11-7-20-11)4-12-8-21-12/h9-12H,1-8H2,(H2,15,17).
What are the key properties of 2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide?
2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide has a molecular weight of 298.34 g/mol, XLogP of -1.11, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide is sourced from PubChem (CID 88734452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).