N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide

C25H51FN2O6 — CID 170090837

IUPACN-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide
SMILESCCCCC(C)C(=O)NCC(F)C(C)OCCOCCOCCOCCOCCNC(C)CC
InChIInChI=1S/C25H51FN2O6/c1-6-8-9-21(3)25(29)28-20-24(26)23(5)34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-27-22(4)7-2/h21-24,27H,6-20H2,1-5H3,(H,28,29)
InChIKeyBSMIYFYLJNZGJL-UHFFFAOYSA-N
MW494.69 g/mol
LogP3.13
Rot. Bonds25

About N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide

N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide (PubChem CID 170090837) has the molecular formula C25H51FN2O6 and a molecular weight of 494.69 g/mol. Its IUPAC name is N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide
PubChem CID170090837
Molecular FormulaC25H51FN2O6
Molecular Weight494.69 g/mol
Exact Mass494.37
IUPAC NameN-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide
SMILESCCCCC(C)C(=O)NCC(F)C(C)OCCOCCOCCOCCOCCNC(C)CC
InChIInChI=1S/C25H51FN2O6/c1-6-8-9-21(3)25(29)28-20-24(26)23(5)34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-27-22(4)7-2/h21-24,27H,6-20H2,1-5H3,(H,28,29)
InChIKeyBSMIYFYLJNZGJL-UHFFFAOYSA-N
XLogP3.13
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.69
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide
CID 155459913
N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]acetamide
CID 163400132
N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-sulfanylpropanamide
CID 166678901
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide
CID 167242610
N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide
CID 114246674
N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen
CID 157113561
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
tert-butyl N-[2-[2-[2-(2-methylheptanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 59595782
N-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethyl]-2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]acetamide
CID 162749903
N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62199109
N-[2-(2-ethoxyethoxy)ethyl]butan-2-amine
CID 62565963
N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane
CID 155707201

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide?
The IUPAC name of N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide (CID 170090837) is N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide.
What is the SMILES notation for N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide?
The canonical SMILES for N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide is CCCCC(C)C(=O)NCC(F)C(C)OCCOCCOCCOCCOCCNC(C)CC.
What is the InChIKey of N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide?
The InChIKey is BSMIYFYLJNZGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51FN2O6/c1-6-8-9-21(3)25(29)28-20-24(26)23(5)34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-27-22(4)7-2/h21-24,27H,6-20H2,1-5H3,(H,28,29).
What are the key properties of N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide?
N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide has a molecular weight of 494.69 g/mol, XLogP of 3.13, 25 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylhexanamide is sourced from PubChem (CID 170090837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).