3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide

C18H38N2O7 — CID 176761961

IUPAC3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
SMILESCCCNC(=O)CCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C18H38N2O7/c1-2-5-20-18(21)3-6-22-8-10-24-12-14-26-16-17-27-15-13-25-11-9-23-7-4-19/h2-17,19H2,1H3,(H,20,21)
InChIKeyHEQJOTCZRKHKCX-UHFFFAOYSA-N
MW394.51 g/mol
LogP-0.04
Rot. Bonds22

About 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide

3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide (PubChem CID 176761961) has the molecular formula C18H38N2O7 and a molecular weight of 394.51 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
PubChem CID176761961
Molecular FormulaC18H38N2O7
Molecular Weight394.51 g/mol
Exact Mass394.27
IUPAC Name3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
SMILESCCCNC(=O)CCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C18H38N2O7/c1-2-5-20-18(21)3-6-22-8-10-24-12-14-26-16-17-27-15-13-25-11-9-23-7-4-19/h2-17,19H2,1H3,(H,20,21)
InChIKeyHEQJOTCZRKHKCX-UHFFFAOYSA-N
XLogP-0.04
TPSA110.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-ethylpropanamide;ethanamine
CID 158863461
ethane;3-propoxy-N-propylpropanamide
CID 163269237
3-(2-aminoethoxy)-N-ethylpropanamide
CID 62343432
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide
CID 126480543
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide
CID 126651556
3-[2-(ethylamino)ethoxy]-N-propylpropanamide
CID 171508192
3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
CID 112739075

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide?
The IUPAC name of 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide (CID 176761961) is 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide?
The canonical SMILES for 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide is CCCNC(=O)CCOCCOCCOCCOCCOCCOCCN.
What is the InChIKey of 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide?
The InChIKey is HEQJOTCZRKHKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O7/c1-2-5-20-18(21)3-6-22-8-10-24-12-14-26-16-17-27-15-13-25-11-9-23-7-4-19/h2-17,19H2,1H3,(H,20,21).
What are the key properties of 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide?
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide has a molecular weight of 394.51 g/mol, XLogP of -0.04, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide is sourced from PubChem (CID 176761961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).