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

C20H41FN2O6 — CID 163400132

IUPACN-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]acetamide
SMILESCCC(C)NCCOCCOCCOCCOCCOC(C)C(F)CNC(C)=O
InChIInChI=1S/C20H41FN2O6/c1-5-17(2)22-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-18(3)20(21)16-23-19(4)24/h17-18,20,22H,5-16H2,1-4H3,(H,23,24)
InChIKeyMSWKNNXMAGZUSF-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.32
Rot. Bonds21

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

N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]acetamide (PubChem CID 163400132) has the molecular formula C20H41FN2O6 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]acetamide
PubChem CID163400132
Molecular FormulaC20H41FN2O6
Molecular Weight424.55 g/mol
Exact Mass424.29
IUPAC NameN-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]acetamide
SMILESCCC(C)NCCOCCOCCOCCOCCOC(C)C(F)CNC(C)=O
InChIInChI=1S/C20H41FN2O6/c1-5-17(2)22-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-18(3)20(21)16-23-19(4)24/h17-18,20,22H,5-16H2,1-4H3,(H,23,24)
InChIKeyMSWKNNXMAGZUSF-UHFFFAOYSA-N
XLogP1.32
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.32
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]-2-methylhexanamide
CID 170090837
N-[2-fluoro-3-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]butyl]acetamide;methanethiol
CID 169215028
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-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethyl]-2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]acetamide
CID 162749903
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
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
2-(butan-2-ylamino)-N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]acetamide
CID 155446032
N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen
CID 157113561
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665

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]acetamide?
The IUPAC name of N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]acetamide (CID 163400132) is N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]acetamide.
What is the SMILES notation for N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]acetamide?
The canonical SMILES for N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]acetamide is CCC(C)NCCOCCOCCOCCOCCOC(C)C(F)CNC(C)=O.
What is the InChIKey of N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]acetamide?
The InChIKey is MSWKNNXMAGZUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41FN2O6/c1-5-17(2)22-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-18(3)20(21)16-23-19(4)24/h17-18,20,22H,5-16H2,1-4H3,(H,23,24).
What are the key properties of N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]acetamide?
N-[3-[2-[2-[2-[2-[2-(butan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 1.32, 21 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]acetamide is sourced from PubChem (CID 163400132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).