N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide

C23H42N2O6 — CID 88622123

IUPACN,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)NCCCCOCC1CO1)NCCCCOCC1CO1
InChIInChI=1S/C23H42N2O6/c26-22(24-12-6-8-14-28-16-20-18-30-20)10-4-2-1-3-5-11-23(27)25-13-7-9-15-29-17-21-19-31-21/h20-21H,1-19H2,(H,24,26)(H,25,27)
InChIKeySHWFRHRTYAYIRU-UHFFFAOYSA-N
MW442.60 g/mol
LogP2.34
Rot. Bonds22

About N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide

N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide (PubChem CID 88622123) has the molecular formula C23H42N2O6 and a molecular weight of 442.60 g/mol. Its IUPAC name is N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide
PubChem CID88622123
Molecular FormulaC23H42N2O6
Molecular Weight442.60 g/mol
Exact Mass442.30
IUPAC NameN,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)NCCCCOCC1CO1)NCCCCOCC1CO1
InChIInChI=1S/C23H42N2O6/c26-22(24-12-6-8-14-28-16-20-18-30-20)10-4-2-1-3-5-11-23(27)25-13-7-9-15-29-17-21-19-31-21/h20-21H,1-19H2,(H,24,26)(H,25,27)
InChIKeySHWFRHRTYAYIRU-UHFFFAOYSA-N
XLogP2.34
TPSA101.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
CID 18188386
9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide
CID 118147117
2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
CID 140901902
7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide
CID 61274559
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
4-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid
CID 137319794
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-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea
CID 89261056
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
CID 87786721

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide?
The IUPAC name of N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide (CID 88622123) is N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide.
What is the SMILES notation for N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide?
The canonical SMILES for N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide is O=C(CCCCCCCC(=O)NCCCCOCC1CO1)NCCCCOCC1CO1.
What is the InChIKey of N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide?
The InChIKey is SHWFRHRTYAYIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O6/c26-22(24-12-6-8-14-28-16-20-18-30-20)10-4-2-1-3-5-11-23(27)25-13-7-9-15-29-17-21-19-31-21/h20-21H,1-19H2,(H,24,26)(H,25,27).
What are the key properties of N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide?
N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide has a molecular weight of 442.60 g/mol, XLogP of 2.34, 22 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide is sourced from PubChem (CID 88622123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).