ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide

C14H33NO3 — CID 171786557

IUPACethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide
SMILESCC.CC.CCCC(=O)NCCOCCC(C)=O.[H][H]
InChIInChI=1S/C10H19NO3.2C2H6.H2/c1-3-4-10(13)11-6-8-14-7-5-9(2)12;2*1-2;/h3-8H2,1-2H3,(H,11,13);2*1-2H3;1H
InChIKeyZDQXEGNVBHVRJE-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.20
Rot. Bonds8

About ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide

ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide (PubChem CID 171786557) has the molecular formula C14H33NO3 and a molecular weight of 263.42 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide
PubChem CID171786557
Molecular FormulaC14H33NO3
Molecular Weight263.42 g/mol
Exact Mass263.25
IUPAC Nameethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide
SMILESCC.CC.CCCC(=O)NCCOCCC(C)=O.[H][H]
InChIInChI=1S/C10H19NO3.2C2H6.H2/c1-3-4-10(13)11-6-8-14-7-5-9(2)12;2*1-2;/h3-8H2,1-2H3,(H,11,13);2*1-2H3;1H
InChIKeyZDQXEGNVBHVRJE-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide
CID 178032711
3-[3-[2-(4-methyl-3-oxoheptoxy)ethylamino]-3-oxopropoxy]-N-[2-(3-oxobutoxy)ethyl]propanamide
CID 138721623

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide?
The IUPAC name of ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide (CID 171786557) is ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide.
What is the SMILES notation for ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide?
The canonical SMILES for ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide is CC.CC.CCCC(=O)NCCOCCC(C)=O.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide?
The InChIKey is ZDQXEGNVBHVRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.2C2H6.H2/c1-3-4-10(13)11-6-8-14-7-5-9(2)12;2*1-2;/h3-8H2,1-2H3,(H,11,13);2*1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide?
ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide has a molecular weight of 263.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide is sourced from PubChem (CID 171786557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).