N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide

C15H32N2O5 — CID 140926568

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NCCCOCCOCCOCCCN
InChIInChI=1S/C15H32N2O5/c1-2-19-10-5-15(18)17-7-4-9-21-12-14-22-13-11-20-8-3-6-16/h2-14,16H2,1H3,(H,17,18)
InChIKeyQZKLCIKJKTZQJQ-UHFFFAOYSA-N
MW320.43 g/mol
LogP0.32
Rot. Bonds17

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide (PubChem CID 140926568) has the molecular formula C15H32N2O5 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
PubChem CID140926568
Molecular FormulaC15H32N2O5
Molecular Weight320.43 g/mol
Exact Mass320.23
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NCCCOCCOCCOCCCN
InChIInChI=1S/C15H32N2O5/c1-2-19-10-5-15(18)17-7-4-9-21-12-14-22-13-11-20-8-3-6-16/h2-14,16H2,1H3,(H,17,18)
InChIKeyQZKLCIKJKTZQJQ-UHFFFAOYSA-N
XLogP0.32
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminopropoxy)-N-ethylpropanamide
CID 62344045
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide
CID 123586963
4-amino-N-[3-(2-methoxyethoxy)propyl]butanamide;hydrochloride
CID 119273607
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide
CID 143771941
(2S)-2,6-diamino-N-[3-[2-[2-[3-[3-[2-[2-[2-[2-[3-[3-[2-[2-[3-[[(2S)-2,6-diaminohexanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 86675712
N'-[3-[2-[2-[3-(3-chloropropanoylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 126550925
2-(2-aminoethoxy)-N-(3-ethoxypropyl)acetamide
CID 79463091
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
CID 142390095
4-amino-N-(3-ethoxypropyl)pentanamide;hydrochloride
CID 120558779
N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 88902416

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide (CID 140926568) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide is CCOCCC(=O)NCCCOCCOCCOCCCN.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide?
The InChIKey is QZKLCIKJKTZQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O5/c1-2-19-10-5-15(18)17-7-4-9-21-12-14-22-13-11-20-8-3-6-16/h2-14,16H2,1H3,(H,17,18).
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide has a molecular weight of 320.43 g/mol, XLogP of 0.32, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide is sourced from PubChem (CID 140926568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).