N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide

C24H44N2O7 — CID 88621823

IUPACN,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide
SMILESCCC(=O)N(CCCCOCC1CO1)N(CCCCOCC1CO1)CCCCOCC1CO1
InChIInChI=1S/C24H44N2O7/c1-2-24(27)26(11-5-8-14-30-17-23-20-33-23)25(9-3-6-12-28-15-21-18-31-21)10-4-7-13-29-16-22-19-32-22/h21-23H,2-20H2,1H3
InChIKeyNKBRCINBVHBVIZ-UHFFFAOYSA-N
MW472.62 g/mol
LogP2.03
Rot. Bonds23

About N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide

N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide (PubChem CID 88621823) has the molecular formula C24H44N2O7 and a molecular weight of 472.62 g/mol. Its IUPAC name is N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide.

Molecular Properties

Compound NameN,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide
PubChem CID88621823
Molecular FormulaC24H44N2O7
Molecular Weight472.62 g/mol
Exact Mass472.31
IUPAC NameN,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide
SMILESCCC(=O)N(CCCCOCC1CO1)N(CCCCOCC1CO1)CCCCOCC1CO1
InChIInChI=1S/C24H44N2O7/c1-2-24(27)26(11-5-8-14-30-17-23-20-33-23)25(9-3-6-12-28-15-21-18-31-21)10-4-7-13-29-16-22-19-32-22/h21-23H,2-20H2,1H3
InChIKeyNKBRCINBVHBVIZ-UHFFFAOYSA-N
XLogP2.03
TPSA88.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-(pentoxymethyl)oxirane
CID 160890113
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
CID 166063430
CID 166063430
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957

Frequently Asked Questions

What is the IUPAC name of N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide?
The IUPAC name of N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide (CID 88621823) is N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide.
What is the SMILES notation for N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide?
The canonical SMILES for N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide is CCC(=O)N(CCCCOCC1CO1)N(CCCCOCC1CO1)CCCCOCC1CO1.
What is the InChIKey of N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide?
The InChIKey is NKBRCINBVHBVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O7/c1-2-24(27)26(11-5-8-14-30-17-23-20-33-23)25(9-3-6-12-28-15-21-18-31-21)10-4-7-13-29-16-22-19-32-22/h21-23H,2-20H2,1H3.
What are the key properties of N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide?
N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide has a molecular weight of 472.62 g/mol, XLogP of 2.03, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-tris[4-(oxiran-2-ylmethoxy)butyl]propanehydrazide is sourced from PubChem (CID 88621823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).