N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide

C20H41N3O6 — CID 91031867

IUPACN-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
SMILESCOC(C)(C)CCOC(C)(C)C(=O)NCCOCCOCCNC(=O)CCCN
InChIInChI=1S/C20H41N3O6/c1-19(2,26-5)8-12-29-20(3,4)18(25)23-11-14-28-16-15-27-13-10-22-17(24)7-6-9-21/h6-16,21H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyDFEQUFJWZXQZCO-UHFFFAOYSA-N
MW419.56 g/mol
LogP0.60
Rot. Bonds18

About N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide

N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide (PubChem CID 91031867) has the molecular formula C20H41N3O6 and a molecular weight of 419.56 g/mol. Its IUPAC name is N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
PubChem CID91031867
Molecular FormulaC20H41N3O6
Molecular Weight419.56 g/mol
Exact Mass419.30
IUPAC NameN-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
SMILESCOC(C)(C)CCOC(C)(C)C(=O)NCCOCCOCCNC(=O)CCCN
InChIInChI=1S/C20H41N3O6/c1-19(2,26-5)8-12-29-20(3,4)18(25)23-11-14-28-16-15-27-13-10-22-17(24)7-6-9-21/h6-16,21H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyDFEQUFJWZXQZCO-UHFFFAOYSA-N
XLogP0.60
TPSA121.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide?
The IUPAC name of N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide (CID 91031867) is N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide?
The canonical SMILES for N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide is COC(C)(C)CCOC(C)(C)C(=O)NCCOCCOCCNC(=O)CCCN.
What is the InChIKey of N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide?
The InChIKey is DFEQUFJWZXQZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O6/c1-19(2,26-5)8-12-29-20(3,4)18(25)23-11-14-28-16-15-27-13-10-22-17(24)7-6-9-21/h6-16,21H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide?
N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide has a molecular weight of 419.56 g/mol, XLogP of 0.60, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide is sourced from PubChem (CID 91031867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).