2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide

C23H28N2O8 — CID 88735245

IUPAC2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(c1cccc(C(=O)N(CC2CO2)CC2CO2)c1OCC1CO1)N(CC1CO1)CC1CO1
InChIInChI=1S/C23H28N2O8/c26-22(24(4-14-8-28-14)5-15-9-29-15)19-2-1-3-20(21(19)33-13-18-12-32-18)23(27)25(6-16-10-30-16)7-17-11-31-17/h1-3,14-18H,4-13H2
InChIKeyOHBXZGYOSHYXJI-UHFFFAOYSA-N
MW460.48 g/mol
LogP-0.06
Rot. Bonds13

About 2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide

2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 88735245) has the molecular formula C23H28N2O8 and a molecular weight of 460.48 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID88735245
Molecular FormulaC23H28N2O8
Molecular Weight460.48 g/mol
Exact Mass460.18
IUPAC Name2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(c1cccc(C(=O)N(CC2CO2)CC2CO2)c1OCC1CO1)N(CC1CO1)CC1CO1
InChIInChI=1S/C23H28N2O8/c26-22(24(4-14-8-28-14)5-15-9-29-15)19-2-1-3-20(21(19)33-13-18-12-32-18)23(27)25(6-16-10-30-16)7-17-11-31-17/h1-3,14-18H,4-13H2
InChIKeyOHBXZGYOSHYXJI-UHFFFAOYSA-N
XLogP-0.06
TPSA112.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
[3-methyl-2-(oxiran-2-ylmethoxy)phenyl] acetate
CID 131876567
bis(oxiran-2-ylmethyl) naphthalene-1,8-dicarboxylate
CID 87282021
1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
CID 21422545
oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxycarbonyl)phenyl]benzoate
CID 22600264
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
N,N-bis(oxiran-2-ylmethyl)-2-phenylacetamide
CID 88735024
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone
CID 141433843
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide (CID 88735245) is 2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide is O=C(c1cccc(C(=O)N(CC2CO2)CC2CO2)c1OCC1CO1)N(CC1CO1)CC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is OHBXZGYOSHYXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O8/c26-22(24(4-14-8-28-14)5-15-9-29-15)19-2-1-3-20(21(19)33-13-18-12-32-18)23(27)25(6-16-10-30-16)7-17-11-31-17/h1-3,14-18H,4-13H2.
What are the key properties of 2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide?
2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 460.48 g/mol, XLogP of -0.06, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)-1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 88735245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).