N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide

C20H40N2O5 — CID 153336650

IUPACN-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCOCCOCCOCCOCC/C=N/CC
InChIInChI=1S/C20H40N2O5/c1-3-5-6-7-9-20(23)22-11-13-25-15-17-27-19-18-26-16-14-24-12-8-10-21-4-2/h10H,3-9,11-19H2,1-2H3,(H,22,23)/b21-10+
InChIKeyVTPSIXJDPYNVHI-UFFVCSGVSA-N
MW388.55 g/mol
LogP2.62
Rot. Bonds21

About N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide

N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide (PubChem CID 153336650) has the molecular formula C20H40N2O5 and a molecular weight of 388.55 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
PubChem CID153336650
Molecular FormulaC20H40N2O5
Molecular Weight388.55 g/mol
Exact Mass388.29
IUPAC NameN-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCOCCOCCOCCOCC/C=N/CC
InChIInChI=1S/C20H40N2O5/c1-3-5-6-7-9-20(23)22-11-13-25-15-17-27-19-18-26-16-14-24-12-8-10-21-4-2/h10H,3-9,11-19H2,1-2H3,(H,22,23)/b21-10+
InChIKeyVTPSIXJDPYNVHI-UFFVCSGVSA-N
XLogP2.62
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
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
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
CID 129058822
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
(Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide
CID 102485842
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide?
The IUPAC name of N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide (CID 153336650) is N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide.
What is the SMILES notation for N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide?
The canonical SMILES for N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide is CCCCCCC(=O)NCCOCCOCCOCCOCC/C=N/CC.
What is the InChIKey of N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide?
The InChIKey is VTPSIXJDPYNVHI-UFFVCSGVSA-N. The full InChI is InChI=1S/C20H40N2O5/c1-3-5-6-7-9-20(23)22-11-13-25-15-17-27-19-18-26-16-14-24-12-8-10-21-4-2/h10H,3-9,11-19H2,1-2H3,(H,22,23)/b21-10+.
What are the key properties of N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide?
N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide has a molecular weight of 388.55 g/mol, XLogP of 2.62, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide is sourced from PubChem (CID 153336650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).