N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide

C16H34N2O4 — CID 170040570

IUPACN-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCOCCOCCOCCNC
InChIInChI=1S/C16H34N2O4/c1-3-4-5-6-7-16(19)18-9-11-21-13-15-22-14-12-20-10-8-17-2/h17H,3-15H2,1-2H3,(H,18,19)
InChIKeyMRYZEMUNYOCRNS-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.34
Rot. Bonds17

About N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide

N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide (PubChem CID 170040570) has the molecular formula C16H34N2O4 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
PubChem CID170040570
Molecular FormulaC16H34N2O4
Molecular Weight318.46 g/mol
Exact Mass318.25
IUPAC NameN-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCOCCOCCOCCNC
InChIInChI=1S/C16H34N2O4/c1-3-4-5-6-7-16(19)18-9-11-21-13-15-22-14-12-20-10-8-17-2/h17H,3-15H2,1-2H3,(H,18,19)
InChIKeyMRYZEMUNYOCRNS-UHFFFAOYSA-N
XLogP1.34
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
CID 129058822
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
CID 101129520
2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate
CID 165390328
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(decanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]acetic acid
CID 175751113

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide?
The IUPAC name of N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide (CID 170040570) is N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide.
What is the SMILES notation for N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide?
The canonical SMILES for N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide is CCCCCCC(=O)NCCOCCOCCOCCNC.
What is the InChIKey of N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide?
The InChIKey is MRYZEMUNYOCRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O4/c1-3-4-5-6-7-16(19)18-9-11-21-13-15-22-14-12-20-10-8-17-2/h17H,3-15H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide?
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide has a molecular weight of 318.46 g/mol, XLogP of 1.34, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide is sourced from PubChem (CID 170040570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).