N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide

C21H39NO5 — CID 166943535

IUPACN-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide
SMILESCC1CC(C)CC2(OCCOCCOCCNC(=O)CCCO)CC(C1)C2
InChIInChI=1S/C21H39NO5/c1-17-12-18(2)14-21(15-19(13-17)16-21)27-11-10-26-9-8-25-7-5-22-20(24)4-3-6-23/h17-19,23H,3-16H2,1-2H3,(H,22,24)
InChIKeyUHGRCAYAEBEISP-UHFFFAOYSA-N
MW385.55 g/mol
LogP2.53
Rot. Bonds13

About N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide

N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide (PubChem CID 166943535) has the molecular formula C21H39NO5 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide
PubChem CID166943535
Molecular FormulaC21H39NO5
Molecular Weight385.55 g/mol
Exact Mass385.28
IUPAC NameN-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide
SMILESCC1CC(C)CC2(OCCOCCOCCNC(=O)CCCO)CC(C1)C2
InChIInChI=1S/C21H39NO5/c1-17-12-18(2)14-21(15-19(13-17)16-21)27-11-10-26-9-8-25-7-5-22-20(24)4-3-6-23/h17-19,23H,3-16H2,1-2H3,(H,22,24)
InChIKeyUHGRCAYAEBEISP-UHFFFAOYSA-N
XLogP2.53
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.53
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-(2-hydroxyethoxy)ethoxy]ethyl]-2-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide
CID 154975000
2-[[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
CID 101492579
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
CID 163400778
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-9-hydroxynonanamide
CID 155740106
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
9-hydroxy-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]nonanamide;vanadium
CID 155741032
N-[2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5,5-dimethyl-4-oxo-3-(5,5,5-trifluoro-4-methylpenta-1,3-dien-2-yl)imidazolidin-1-yl]butanamide
CID 123720159
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide?
The IUPAC name of N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide (CID 166943535) is N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide?
The canonical SMILES for N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide is CC1CC(C)CC2(OCCOCCOCCNC(=O)CCCO)CC(C1)C2.
What is the InChIKey of N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide?
The InChIKey is UHGRCAYAEBEISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO5/c1-17-12-18(2)14-21(15-19(13-17)16-21)27-11-10-26-9-8-25-7-5-22-20(24)4-3-6-23/h17-19,23H,3-16H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide?
N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide has a molecular weight of 385.55 g/mol, XLogP of 2.53, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide is sourced from PubChem (CID 166943535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).