2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene

C30H48N2O6-2 — CID 159741840

IUPAC2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C)c1.Cc1cc(OCCOCCOCC[NH-])c(C)c(OCCOCCOCC[NH-])c1
InChIInChI=1S/C20H34N2O6.C10H14/c1-17-15-19(27-13-11-25-9-7-23-5-3-21)18(2)20(16-17)28-14-12-26-10-8-24-6-4-22;1-7-5-8(2)10(4)9(3)6-7/h15-16,21-22H,3-14H2,1-2H3;5-6H,1-4H3/q-2;
InChIKeyNCOCRWFIZXYGDY-UHFFFAOYSA-N
MW532.72 g/mol
LogP6.15
Rot. Bonds18

About 2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene

2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene (PubChem CID 159741840) has the molecular formula C30H48N2O6-2 and a molecular weight of 532.72 g/mol. Its IUPAC name is 2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene.

Molecular Properties

Compound Name2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene
PubChem CID159741840
Molecular FormulaC30H48N2O6-2
Molecular Weight532.72 g/mol
Exact Mass532.35
IUPAC Name2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C)c1.Cc1cc(OCCOCCOCC[NH-])c(C)c(OCCOCCOCC[NH-])c1
InChIInChI=1S/C20H34N2O6.C10H14/c1-17-15-19(27-13-11-25-9-7-23-5-3-21)18(2)20(16-17)28-14-12-26-10-8-24-6-4-22;1-7-5-8(2)10(4)9(3)6-7/h15-16,21-22H,3-14H2,1-2H3;5-6H,1-4H3/q-2;
InChIKeyNCOCRWFIZXYGDY-UHFFFAOYSA-N
XLogP6.15
TPSA102.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.72
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol
CID 61076408
2-[5-acetyl-3-(2-azanidylethoxy)-2-methylphenoxy]ethylazanide;1-(3,5-dimethylphenyl)ethanone;1-(3,4,5-trimethylphenyl)ethanone
CID 54574421
2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine
CID 62598558
N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 29016141
6-(2,3,5-trimethylphenoxy)hexane-1-thiol
CID 2304768
4-bromo-N-[2-(2,3,5-trimethylphenoxy)ethyl]aniline
CID 63516850
2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol
CID 64805200
N-tert-butyl-5-(2,3,5-trimethylphenoxy)pentan-1-amine
CID 63497364
3-(2,3,5-trimethylphenoxy)propanehydrazide
CID 63575558
tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium
CID 2262255
N-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene?
The IUPAC name of 2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene (CID 159741840) is 2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene.
What is the SMILES notation for 2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene?
The canonical SMILES for 2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene is Cc1cc(C)c(C)c(C)c1.Cc1cc(OCCOCCOCC[NH-])c(C)c(OCCOCCOCC[NH-])c1.
What is the InChIKey of 2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene?
The InChIKey is NCOCRWFIZXYGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O6.C10H14/c1-17-15-19(27-13-11-25-9-7-23-5-3-21)18(2)20(16-17)28-14-12-26-10-8-24-6-4-22;1-7-5-8(2)10(4)9(3)6-7/h15-16,21-22H,3-14H2,1-2H3;5-6H,1-4H3/q-2;.
What are the key properties of 2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene?
2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene has a molecular weight of 532.72 g/mol, XLogP of 6.15, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene is sourced from PubChem (CID 159741840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).