ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen

C15H33NO3 — CID 176934514

IUPACethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
SMILESC=C.CCCC(=O)NCCOCCOCCC(C)C.[H][H]
InChIInChI=1S/C13H27NO3.C2H4.H2/c1-4-5-13(15)14-7-9-17-11-10-16-8-6-12(2)3;1-2;/h12H,4-11H2,1-3H3,(H,14,15);1-2H2;1H
InChIKeyPPAWDJFJOUWZGO-UHFFFAOYSA-N
MW275.43 g/mol
LogP3.03
Rot. Bonds11

About ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen

ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen (PubChem CID 176934514) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen.

Molecular Properties

Compound Nameethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
PubChem CID176934514
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Nameethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
SMILESC=C.CCCC(=O)NCCOCCOCCC(C)C.[H][H]
InChIInChI=1S/C13H27NO3.C2H4.H2/c1-4-5-13(15)14-7-9-17-11-10-16-8-6-12(2)3;1-2;/h12H,4-11H2,1-3H3,(H,14,15);1-2H2;1H
InChIKeyPPAWDJFJOUWZGO-UHFFFAOYSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
CID 177338046
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen
CID 170613092
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide
CID 176933394
2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane
CID 155748733
N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium
CID 153336214
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
(2S)-2-amino-N,N'-bis[2-[2-(butanoylamino)ethoxy]ethyl]pentanediamide
CID 168852497

Frequently Asked Questions

What is the IUPAC name of ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen?
The IUPAC name of ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen (CID 176934514) is ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen.
What is the SMILES notation for ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen?
The canonical SMILES for ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen is C=C.CCCC(=O)NCCOCCOCCC(C)C.[H][H].
What is the InChIKey of ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen?
The InChIKey is PPAWDJFJOUWZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3.C2H4.H2/c1-4-5-13(15)14-7-9-17-11-10-16-8-6-12(2)3;1-2;/h12H,4-11H2,1-3H3,(H,14,15);1-2H2;1H.
What are the key properties of ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen?
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen has a molecular weight of 275.43 g/mol, XLogP of 3.03, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen is sourced from PubChem (CID 176934514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).