ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

C34H69NO14 — CID 171086884

IUPACethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESC/C=C\C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(C)=O.CC.[H][H]
InChIInChI=1S/C32H61NO14.C2H6.H2/c1-3-4-32(35)5-7-36-9-11-38-13-15-40-17-19-42-21-23-44-25-27-46-29-30-47-28-26-45-24-22-43-20-18-41-16-14-39-12-10-37-8-6-33-31(2)34;1-2;/h3-4H,5-30H2,1-2H3,(H,33,34);1-2H3;1H/b4-3-;;
InChIKeyYFNGMFNSCHPSNX-GSBNXNDCSA-N
MW715.92 g/mol
LogP2.13
Rot. Bonds40

About ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 171086884) has the molecular formula C34H69NO14 and a molecular weight of 715.92 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
PubChem CID171086884
Molecular FormulaC34H69NO14
Molecular Weight715.92 g/mol
Exact Mass715.47
IUPAC Nameethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESC/C=C\C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(C)=O.CC.[H][H]
InChIInChI=1S/C32H61NO14.C2H6.H2/c1-3-4-32(35)5-7-36-9-11-38-13-15-40-17-19-42-21-23-44-25-27-46-29-30-47-28-26-45-24-22-43-20-18-41-16-14-39-12-10-37-8-6-33-31(2)34;1-2;/h3-4H,5-30H2,1-2H3,(H,33,34);1-2H3;1H/b4-3-;;
InChIKeyYFNGMFNSCHPSNX-GSBNXNDCSA-N
XLogP2.13
TPSA156.93 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds40
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.92
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide with MolForge

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Related Compounds

(E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide
CID 58348969
carbon dioxide;(E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide
CID 123786050
N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide;molecular hydrogen;propane
CID 164560546
(E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide
CID 167420658
(Z)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide
CID 167420681
(E)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide
CID 167420728
(Z)-5-methyl-4-oxo-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]hex-2-enamide
CID 167420757
(5Z,8Z,11Z,14Z)-N-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]icosa-5,8,11,14-tetraenamide
CID 171841657
N-[2-[2-[2-[2-[(Z)-4-methyl-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 164560547
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 171086885

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 171086884) is ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is C/C=C\C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(C)=O.CC.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is YFNGMFNSCHPSNX-GSBNXNDCSA-N. The full InChI is InChI=1S/C32H61NO14.C2H6.H2/c1-3-4-32(35)5-7-36-9-11-38-13-15-40-17-19-42-21-23-44-25-27-46-29-30-47-28-26-45-24-22-43-20-18-41-16-14-39-12-10-37-8-6-33-31(2)34;1-2;/h3-4H,5-30H2,1-2H3,(H,33,34);1-2H3;1H/b4-3-;;.
What are the key properties of ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 715.92 g/mol, XLogP of 2.13, 40 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-3-oxohex-4-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 171086884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).