N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid

C29H51F3N4O13 — CID 146014003

IUPACN,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESNCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCN)C(=O)CCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C27H50N4O11.C2HF3O2/c28-4-9-35-13-17-39-21-23-41-19-15-37-11-7-30(25(32)3-6-31-26(33)1-2-27(31)34)8-12-38-16-20-42-24-22-40-18-14-36-10-5-29;3-2(4,5)1(6)7/h1-2H,3-24,28-29H2;(H,6,7)
InChIKeyFTWGVVGCWYBBFM-UHFFFAOYSA-N
MW720.74 g/mol
LogP-1.19
Rot. Bonds31

About N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid

N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 146014003) has the molecular formula C29H51F3N4O13 and a molecular weight of 720.74 g/mol. Its IUPAC name is N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid
PubChem CID146014003
Molecular FormulaC29H51F3N4O13
Molecular Weight720.74 g/mol
Exact Mass720.34
IUPAC NameN,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESNCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCN)C(=O)CCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C27H50N4O11.C2HF3O2/c28-4-9-35-13-17-39-21-23-41-19-15-37-11-7-30(25(32)3-6-31-26(33)1-2-27(31)34)8-12-38-16-20-42-24-22-40-18-14-36-10-5-29;3-2(4,5)1(6)7/h1-2H,3-24,28-29H2;(H,6,7)
InChIKeyFTWGVVGCWYBBFM-UHFFFAOYSA-N
XLogP-1.19
TPSA220.87 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds31
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.74
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid (CID 146014003) is N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid is NCCOCCOCCOCCOCCN(CCOCCOCCOCCOCCN)C(=O)CCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is FTWGVVGCWYBBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N4O11.C2HF3O2/c28-4-9-35-13-17-39-21-23-41-19-15-37-11-7-30(25(32)3-6-31-26(33)1-2-27(31)34)8-12-38-16-20-42-24-22-40-18-14-36-10-5-29;3-2(4,5)1(6)7/h1-2H,3-24,28-29H2;(H,6,7).
What are the key properties of N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid?
N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 720.74 g/mol, XLogP of -1.19, 31 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146014003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).