3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide

C14H30N2O5 — CID 118439735

IUPAC3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide
SMILESNCOCCOCCOCCC(=O)NCCCCCCO
InChIInChI=1S/C14H30N2O5/c15-13-21-12-11-20-10-9-19-8-5-14(18)16-6-3-1-2-4-7-17/h17H,1-13,15H2,(H,16,18)
InChIKeyWTNBXGGKLBQBTI-UHFFFAOYSA-N
MW306.40 g/mol
LogP0.01
Rot. Bonds16

About 3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide

3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide (PubChem CID 118439735) has the molecular formula C14H30N2O5 and a molecular weight of 306.40 g/mol. Its IUPAC name is 3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide.

Molecular Properties

Compound Name3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide
PubChem CID118439735
Molecular FormulaC14H30N2O5
Molecular Weight306.40 g/mol
Exact Mass306.22
IUPAC Name3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide
SMILESNCOCCOCCOCCC(=O)NCCCCCCO
InChIInChI=1S/C14H30N2O5/c15-13-21-12-11-20-10-9-19-8-5-14(18)16-6-3-1-2-4-7-17/h17H,1-13,15H2,(H,16,18)
InChIKeyWTNBXGGKLBQBTI-UHFFFAOYSA-N
XLogP0.01
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-9-hydroxynonanamide
CID 155740106
2-(aminomethoxymethoxymethoxy)-N-(5-hydroxypentyl)acetamide
CID 118439628
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
5-[2-[2-[2-[2-[2-[2-(5-hydroxypentylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 155280004
N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide
CID 89252423
CID 170598419
CID 170598419
7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide
CID 106310658
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568
4-(6-hydroxyhexylamino)-4-oxobutanoic acid
CID 82675255
3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 163953950
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide?
The IUPAC name of 3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide (CID 118439735) is 3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide.
What is the SMILES notation for 3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide?
The canonical SMILES for 3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide is NCOCCOCCOCCC(=O)NCCCCCCO.
What is the InChIKey of 3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide?
The InChIKey is WTNBXGGKLBQBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O5/c15-13-21-12-11-20-10-9-19-8-5-14(18)16-6-3-1-2-4-7-17/h17H,1-13,15H2,(H,16,18).
What are the key properties of 3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide?
3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide has a molecular weight of 306.40 g/mol, XLogP of 0.01, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide is sourced from PubChem (CID 118439735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).