2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid

C17H37N3O8 — CID 88542577

IUPAC2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid
SMILESNCCOCCOCC(COCCOCCN)COCCOCCNC(=O)O
InChIInChI=1S/C17H37N3O8/c18-1-4-23-7-10-26-13-16(14-27-11-8-24-5-2-19)15-28-12-9-25-6-3-20-17(21)22/h16,20H,1-15,18-19H2,(H,21,22)
InChIKeyAIZYRJQPEQGBMO-UHFFFAOYSA-N
MW411.50 g/mol
LogP-1.11
Rot. Bonds22

About 2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid

2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid (PubChem CID 88542577) has the molecular formula C17H37N3O8 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid
PubChem CID88542577
Molecular FormulaC17H37N3O8
Molecular Weight411.50 g/mol
Exact Mass411.26
IUPAC Name2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid
SMILESNCCOCCOCC(COCCOCCN)COCCOCCNC(=O)O
InChIInChI=1S/C17H37N3O8/c18-1-4-23-7-10-26-13-16(14-27-11-8-24-5-2-19)15-28-12-9-25-6-3-20-17(21)22/h16,20H,1-15,18-19H2,(H,21,22)
InChIKeyAIZYRJQPEQGBMO-UHFFFAOYSA-N
XLogP-1.11
TPSA156.75 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid
CID 88542576
2-(2-amino-2-sulfanylethoxy)ethylcarbamic acid
CID 135336731
3-[2-[2-[3-(carboxyamino)propoxycarbonylamino]ethoxy]ethylcarbamoyloxy]propylcarbamic acid
CID 19751998
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid
CID 176555841
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086
(2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide
CID 163855261
2-aminoethylcarbamic acid;ethane-1,2-diamine
CID 173123668

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid?
The IUPAC name of 2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid (CID 88542577) is 2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid?
The canonical SMILES for 2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid is NCCOCCOCC(COCCOCCN)COCCOCCNC(=O)O.
What is the InChIKey of 2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid?
The InChIKey is AIZYRJQPEQGBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O8/c18-1-4-23-7-10-26-13-16(14-27-11-8-24-5-2-19)15-28-12-9-25-6-3-20-17(21)22/h16,20H,1-15,18-19H2,(H,21,22).
What are the key properties of 2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid?
2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid has a molecular weight of 411.50 g/mol, XLogP of -1.11, 22 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid is sourced from PubChem (CID 88542577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).