N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide

C19H30F9NO5 — CID 58421298

IUPACN-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide
SMILESCCCOCCOCCOCCNC(=O)COCC(CC(F)(F)F)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C19H30F9NO5/c1-2-4-31-6-8-33-9-7-32-5-3-29-15(30)10-34-14-16(11-17(20,21)22,12-18(23,24)25)13-19(26,27)28/h2-14H2,1H3,(H,29,30)
InChIKeyYIVXBSLLSLGBJM-UHFFFAOYSA-N
MW523.43 g/mol
LogP4.42
Rot. Bonds18

About N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide

N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide (PubChem CID 58421298) has the molecular formula C19H30F9NO5 and a molecular weight of 523.43 g/mol. Its IUPAC name is N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide
PubChem CID58421298
Molecular FormulaC19H30F9NO5
Molecular Weight523.43 g/mol
Exact Mass523.20
IUPAC NameN-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide
SMILESCCCOCCOCCOCCNC(=O)COCC(CC(F)(F)F)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C19H30F9NO5/c1-2-4-31-6-8-33-9-7-32-5-3-29-15(30)10-34-14-16(11-17(20,21)22,12-18(23,24)25)13-19(26,27)28/h2-14H2,1H3,(H,29,30)
InChIKeyYIVXBSLLSLGBJM-UHFFFAOYSA-N
XLogP4.42
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxopropoxy)-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 123445865
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
ethane;[2-oxo-2-(2-propoxyethylamino)ethyl]mercury
CID 171823735
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
methyl 2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetate
CID 58275059
2-[[2-[[2-[[2-[bis[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-2-oxoethyl]amino]acetyl]-[2-oxo-2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]-N-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 58275073

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide?
The IUPAC name of N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide (CID 58421298) is N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide.
What is the SMILES notation for N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide?
The canonical SMILES for N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide is CCCOCCOCCOCCNC(=O)COCC(CC(F)(F)F)(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide?
The InChIKey is YIVXBSLLSLGBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F9NO5/c1-2-4-31-6-8-33-9-7-32-5-3-29-15(30)10-34-14-16(11-17(20,21)22,12-18(23,24)25)13-19(26,27)28/h2-14H2,1H3,(H,29,30).
What are the key properties of N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide?
N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide has a molecular weight of 523.43 g/mol, XLogP of 4.42, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide is sourced from PubChem (CID 58421298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).