N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide

C19H40FN3O3 — CID 138727987

IUPACN-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(F)C(C)(C)OCCNCCOCCNC(C)(C)C
InChIInChI=1S/C19H40FN3O3/c1-15(2)17(24)22-14-16(20)19(6,7)26-13-9-21-8-11-25-12-10-23-18(3,4)5/h15-16,21,23H,8-14H2,1-7H3,(H,22,24)
InChIKeyIRDDTDIBGGBHGN-UHFFFAOYSA-N
MW377.55 g/mol
LogP1.89
Rot. Bonds14

About N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide

N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide (PubChem CID 138727987) has the molecular formula C19H40FN3O3 and a molecular weight of 377.55 g/mol. Its IUPAC name is N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
PubChem CID138727987
Molecular FormulaC19H40FN3O3
Molecular Weight377.55 g/mol
Exact Mass377.31
IUPAC NameN-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(F)C(C)(C)OCCNCCOCCNC(C)(C)C
InChIInChI=1S/C19H40FN3O3/c1-15(2)17(24)22-14-16(20)19(6,7)26-13-9-21-8-11-25-12-10-23-18(3,4)5/h15-16,21,23H,8-14H2,1-7H3,(H,22,24)
InChIKeyIRDDTDIBGGBHGN-UHFFFAOYSA-N
XLogP1.89
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-3-methyl-3-[2-[2-[2-(1-sulfanylethylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 167191784
N-[3-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]-2-fluoro-3-methylbutyl]acetamide;ethane;molecular hydrogen
CID 142623156
N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]propanamide
CID 155750887
N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 147243604
2-ethyl-N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]pentanamide
CID 170007769
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-2-methylpropanamide
CID 167242610
ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide
CID 142623147
N-[2-[2-(ethylamino)ethoxy]ethyl]-2-methylpropanamide;molecular hydrogen
CID 172574109
N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
CID 170442191
N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide
CID 155402014
S-methyl N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]carbamothioate
CID 166118245
1-[2-[2-(tert-butylamino)ethoxy]ethoxy]-3-methylbutan-2-one
CID 138460886

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide?
The IUPAC name of N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide (CID 138727987) is N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide is CC(C)C(=O)NCC(F)C(C)(C)OCCNCCOCCNC(C)(C)C.
What is the InChIKey of N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide?
The InChIKey is IRDDTDIBGGBHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40FN3O3/c1-15(2)17(24)22-14-16(20)19(6,7)26-13-9-21-8-11-25-12-10-23-18(3,4)5/h15-16,21,23H,8-14H2,1-7H3,(H,22,24).
What are the key properties of N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide?
N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide has a molecular weight of 377.55 g/mol, XLogP of 1.89, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[2-(tert-butylamino)ethoxy]ethylamino]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide is sourced from PubChem (CID 138727987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).