ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane

C22H46N2O6 — CID 156865396

IUPACethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane
SMILESCC.CC(=O)COCCOCCNC(=O)CCCCOCCNC=O.CCCCC
InChIInChI=1S/C15H28N2O6.C5H12.C2H6/c1-14(19)12-23-11-10-22-9-6-17-15(20)4-2-3-7-21-8-5-16-13-18;1-3-5-4-2;1-2/h13H,2-12H2,1H3,(H,16,18)(H,17,20);3-5H2,1-2H3;1-2H3
InChIKeyUVHSLLAATRKNCF-UHFFFAOYSA-N
MW434.62 g/mol
LogP2.88
Rot. Bonds19

About ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane

ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane (PubChem CID 156865396) has the molecular formula C22H46N2O6 and a molecular weight of 434.62 g/mol. Its IUPAC name is ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane.

Molecular Properties

Compound Nameethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane
PubChem CID156865396
Molecular FormulaC22H46N2O6
Molecular Weight434.62 g/mol
Exact Mass434.34
IUPAC Nameethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane
SMILESCC.CC(=O)COCCOCCNC(=O)CCCCOCCNC=O.CCCCC
InChIInChI=1S/C15H28N2O6.C5H12.C2H6/c1-14(19)12-23-11-10-22-9-6-17-15(20)4-2-3-7-21-8-5-16-13-18;1-3-5-4-2;1-2/h13H,2-12H2,1H3,(H,16,18)(H,17,20);3-5H2,1-2H3;1-2H3
InChIKeyUVHSLLAATRKNCF-UHFFFAOYSA-N
XLogP2.88
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.62
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide
CID 170054090
9-methoxy-N-[2-[2-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]nonanamide
CID 155405230
ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide
CID 156794458
6-oxo-N-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethyl]octanamide
CID 58143549
9-hydroxy-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]nonanamide;vanadium
CID 155741032
16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane
CID 145370854
N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
CID 156795114
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
5-bromo-N-(2-butoxyethyl)pentanamide
CID 10016485
2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 58214492

Frequently Asked Questions

What is the IUPAC name of ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane?
The IUPAC name of ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane (CID 156865396) is ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane.
What is the SMILES notation for ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane?
The canonical SMILES for ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane is CC.CC(=O)COCCOCCNC(=O)CCCCOCCNC=O.CCCCC.
What is the InChIKey of ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane?
The InChIKey is UVHSLLAATRKNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O6.C5H12.C2H6/c1-14(19)12-23-11-10-22-9-6-17-15(20)4-2-3-7-21-8-5-16-13-18;1-3-5-4-2;1-2/h13H,2-12H2,1H3,(H,16,18)(H,17,20);3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane?
ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane has a molecular weight of 434.62 g/mol, XLogP of 2.88, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane is sourced from PubChem (CID 156865396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).